 vasp.5.2.11 25Nov10 complex
 executed on             LinuxIFC date 2011.05.26  09:58:57
 running on    8 nodes
 distr:  one band on    1 nodes,    8 groups


--------------------------------------------------------------------------------------------------------


 INCAR:
 POTCAR:    PAW_PBE Na_pv 05Jan2001
 POTCAR:    PAW_PBE Cl 17Jan2003
 POTCAR:    PAW_PBE Na_pv 05Jan2001
   VRHFIN =Na: p6s1
   LEXCH  = PE
   EATOM  =   766.0439 eV,   56.3026 Ry

   TITEL  = PAW_PBE Na_pv 05Jan2001
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    1.800    partial core radius
   POMASS =   22.990; ZVAL   =    7.000    mass and valenz
   RCORE  =    2.200    outmost cutoff radius
   RWIGS  =    2.200; RWIGS  =    1.164    wigner-seitz radius (au A)
   ENMAX  =  259.561; ENMIN  =  194.671 eV
   ICORE  =        2    local potential
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  368.056
   DEXC   =    -.009
   RMAX   =    2.862    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    2.259    radius for radial grids
   QCUT   =   -4.368; QGAM   =    8.735    optimization parameters

   Description
     l     E      TYP  RCUT    TYP  RCUT
     1   .000     23  2.000
     1   .500     23  2.000
     0   .000     23  2.200
     0  1.000     23  2.200
     2  -.100     23  2.000
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8

 POTCAR:    PAW_PBE Cl 17Jan2003
   VRHFIN =Cl: s2p5
   LEXCH  = PE
   EATOM  =   409.7259 eV,   30.1140 Ry

   TITEL  = PAW_PBE Cl 17Jan2003
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    1.500    partial core radius
   POMASS =   35.453; ZVAL   =    7.000    mass and valenz
   RCORE  =    1.900    outmost cutoff radius
   RWIGS  =    2.100; RWIGS  =    1.111    wigner-seitz radius (au A)
   ENMAX  =  280.000; ENMIN  =  196.854 eV
   ICORE  =        2    local potential
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  356.192
   DEXC   =     .000
   RMAX   =    2.846    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    2.020    radius for radial grids
   QCUT   =   -4.392; QGAM   =    8.784    optimization parameters

   Description
     l     E      TYP  RCUT    TYP  RCUT
     0   .000     23  1.900
     0   .000     23  1.900
     1   .000     23  1.900
     1   .000     23  1.900
     2   .000     23  1.900
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8


 -----------------------------------------------------------------------------
|                                                                             |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP'   (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                             |
|      You have a (more or less) 'large supercell' and for larger cells       |
|      it might be more efficient to use real space projection opertators     |
|      So try LREAL= Auto  in the INCAR   file.                               |
|      Mind: At the moment your POTCAR file does not contain real space       |
|       projectors, and has to be modified,  BUT if you                       |
|      want to do an extremely  accurate calculation you might also keep the  |
|      reciprocal projection scheme          (i.e. LREAL=.FALSE.)             |
|                                                                             |
 -----------------------------------------------------------------------------

  PAW_PBE Na_pv 05Jan2001               :
 energy of atom  1       EATOM= -766.0439
 kinetic energy error for atom=    0.0201 (will be added to EATOM!!)
  PAW_PBE Cl 17Jan2003                  :
 energy of atom  2       EATOM= -409.7259
 kinetic energy error for atom=    0.0150 (will be added to EATOM!!)


 POSCAR: Na Cl
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000



--------------------------------------------------------------------------------------------------------


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-
   2  0.500  0.000  0.000-
   3  0.000  0.500  0.000-
   4  0.500  0.500  0.000-
   5  0.000  0.000  0.500-
   6  0.500  0.000  0.500-
   7  0.000  0.500  0.500-
   8  0.500  0.500  0.500-
   9  0.000  0.250  0.250-
  10  0.500  0.250  0.250-
  11  0.000  0.750  0.250-
  12  0.500  0.750  0.250-
  13  0.000  0.250  0.750-
  14  0.500  0.250  0.750-
  15  0.000  0.750  0.750-
  16  0.500  0.750  0.750-
  17  0.250  0.000  0.250-
  18  0.750  0.000  0.250-
  19  0.250  0.500  0.250-
  20  0.750  0.500  0.250-
  21  0.250  0.000  0.750-
  22  0.750  0.000  0.750-
  23  0.250  0.500  0.750-
  24  0.750  0.500  0.750-
  25  0.250  0.250  0.000-
  26  0.750  0.250  0.000-
  27  0.250  0.750  0.000-
  28  0.750  0.750  0.000-
  29  0.250  0.250  0.500-
  30  0.750  0.250  0.500-
  31  0.250  0.750  0.500-
  32  0.750  0.750  0.500-
  33  0.250  0.250  0.250-
  34  0.750  0.250  0.250-
  35  0.250  0.750  0.250-
  36  0.750  0.750  0.250-
  37  0.250  0.250  0.750-
  38  0.750  0.250  0.750-
  39  0.250  0.750  0.750-
  40  0.750  0.750  0.750-
  41  0.250  0.000  0.000-
  42  0.750  0.000  0.000-
  43  0.250  0.500  0.000-
  44  0.750  0.500  0.000-
  45  0.250  0.000  0.500-
  46  0.750  0.000  0.500-
  47  0.250  0.500  0.500-
  48  0.750  0.500  0.500-
  49  0.000  0.250  0.000-
  50  0.500  0.250  0.000-
  51  0.000  0.750  0.000-
  52  0.500  0.750  0.000-
  53  0.000  0.250  0.500-
  54  0.500  0.250  0.500-
  55  0.000  0.750  0.500-
  56  0.500  0.750  0.500-
  57  0.000  0.000  0.250-
  58  0.500  0.000  0.250-
  59  0.000  0.500  0.250-
  60  0.500  0.500  0.250-
  61  0.000  0.000  0.750-
  62  0.500  0.000  0.750-
  63  0.000  0.500  0.750-
  64  0.500  0.500  0.750-

  LATTYP: Found a simple cubic cell.
 ALAT       =    11.3806029524

  Lattice vectors:

 A1 = (  11.3806029524,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,  11.3806029524,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  11.3806029524)
 Subroutine PRICEL returns following result:

  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.6903014762

  Lattice vectors:

 A1 = (   2.8451507381,   2.8451507381,   0.0000000000)
 A2 = (   2.8451507381,   0.0000000000,  -2.8451507381)
 A3 = (   0.0000000000,   2.8451507381,  -2.8451507381)

  32 primitive cells build up your supercell.


Analysis of symmetry for initial positions (statically):

 Routine SETGRP: Setting up the symmetry group for a
 simple cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry O_h .

Analysis of symmetry for dynamics (positions and initial velocities):

 Subroutine DYNSYM returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also    32 'primitive' translations


The dynamic configuration has the point symmetry O_h .


 KPOINTS: Automatic mesh

Automatic generation of k-mesh.

 Subroutine IBZKPT returns following result:
 ===========================================

 Found      1 irreducible k-points:

 Following reciprocal coordinates:
            Coordinates               Weight
  0.250000  0.250000  0.250000      8.000000

 Following cartesian coordinates:
            Coordinates               Weight
  0.021967  0.021967  0.021967      8.000000


 Subroutine IBZKPT_HF returns following result:
 ==============================================

 Found      8 k-points in 1st BZ
 the following      8 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.250000  0.250000  0.250000       1
 -0.250000 -0.250000 -0.250000       1
 -0.250000  0.250000  0.250000       1
  0.250000 -0.250000 -0.250000       1
 -0.250000 -0.250000  0.250000       1
  0.250000  0.250000 -0.250000       1
  0.250000 -0.250000  0.250000       1
 -0.250000  0.250000 -0.250000       1


--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =      1   k-points in BZ     NKDIM =      1   number of bands    NBANDS=    272
   number of dos      NEDOS =    301   number of ions     NIONS =     64
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV = 262144
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  41096
   dimension x,y,z NGX =    64 NGY =   64 NGZ =   64
   dimension x,y,z NGXF=   128 NGYF=  128 NGZF=  128
   support grid    NGXF=   256 NGYF=  256 NGZF=  256
   ions per type =              32  32
 NGX,Y,Z   is equivalent  to a cutoff of   9.35,  9.35,  9.35 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  18.70, 18.70, 18.70 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    64 NGY =   64 NGZ =   64
 SYSTEM =  unknown system
 POSCAR =  Na Cl

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  300.0 eV  22.05 Ry    4.70 a.u.  16.07 16.07 16.07*2*pi/ulx,y,z
   ENINI  =  300.0     initial cutoff
   ENAUG  =  368.1 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  5; NELMDL= -5     # of ELM steps
   EDIFF  = 0.1E-07   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000   0.00000
 Ionic relaxation
   EDIFFG = 0.1E-06   stopping-criterion for IOM
   NSW    =      1    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block
   IBRION =      8    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.296E-26a.u.
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  22.99 35.45
  Ionic Valenz
   ZVAL   =   7.00  7.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00
  virtual crystal weights
   VCA    =   1.00  1.00
   NELECT =     448.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     0;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      T    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.93E-11  absolut break condition
   DEPER  =   0.30     relativ break condition

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      23.03       155.42
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.100700  2.080021 16.484004  1.211540
  Thomas-Fermi vector in A             =   2.237115

 Write flags
   LWAVE  =      F    write WAVECAR
   LCHARG =      F    write CHGCAR
   LVTOT  =      F    write LOCPOT, total local potential
   LVHAR  =      F    write LOCPOT, Hartree potential only
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =      0    0 simple, 1 ext, 2 COOP (PROOUT)


 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      F    correct potential (dipole corrections)
   IDIPOL =      0    1-x, 2-y, 3-z, 4-all directions
   EPSILON=  1.0000000 bulk dielectric constant

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   RTIME   =    0.100 relaxation time in fs

 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field



--------------------------------------------------------------------------------------------------------


 linear response using symmetry
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands           48
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces
   (improved forces if not selfconsistent)
 use gradient corrections
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.20


--------------------------------------------------------------------------------------------------------


  energy-cutoff  :      300.00
  volume of cell :     1473.99
      direct lattice vectors                 reciprocal lattice vectors
    11.380602952  0.000000000  0.000000000     0.087868807  0.000000000  0.000000000
     0.000000000 11.380602952  0.000000000     0.000000000  0.087868807  0.000000000
     0.000000000  0.000000000 11.380602952     0.000000000  0.000000000  0.087868807

  length of vectors
    11.380602952 11.380602952 11.380602952     0.087868807  0.087868807  0.087868807



 k-points in units of 2pi/SCALE and weight: Automatic mesh
   0.02196720  0.02196720  0.02196720       1.000

 k-points in reciprocal lattice and weights: Automatic mesh
   0.25000000  0.25000000  0.25000000       1.000

 position of ions in fractional coordinates (direct lattice)
   0.00000000  0.00000000  0.00000000
   0.50000000  0.00000000  0.00000000
   0.00000000  0.50000000  0.00000000
   0.50000000  0.50000000  0.00000000
   0.00000000  0.00000000  0.50000000
   0.50000000  0.00000000  0.50000000
   0.00000000  0.50000000  0.50000000
   0.50000000  0.50000000  0.50000000
   0.00000000  0.25000000  0.25000000
   0.50000000  0.25000000  0.25000000
   0.00000000  0.75000000  0.25000000
   0.50000000  0.75000000  0.25000000
   0.00000000  0.25000000  0.75000000
   0.50000000  0.25000000  0.75000000
   0.00000000  0.75000000  0.75000000
   0.50000000  0.75000000  0.75000000
   0.25000000  0.00000000  0.25000000
   0.75000000  0.00000000  0.25000000
   0.25000000  0.50000000  0.25000000
   0.75000000  0.50000000  0.25000000
   0.25000000  0.00000000  0.75000000
   0.75000000  0.00000000  0.75000000
   0.25000000  0.50000000  0.75000000
   0.75000000  0.50000000  0.75000000
   0.25000000  0.25000000  0.00000000
   0.75000000  0.25000000  0.00000000
   0.25000000  0.75000000  0.00000000
   0.75000000  0.75000000  0.00000000
   0.25000000  0.25000000  0.50000000
   0.75000000  0.25000000  0.50000000
   0.25000000  0.75000000  0.50000000
   0.75000000  0.75000000  0.50000000
   0.25000000  0.25000000  0.25000000
   0.75000000  0.25000000  0.25000000
   0.25000000  0.75000000  0.25000000
   0.75000000  0.75000000  0.25000000
   0.25000000  0.25000000  0.75000000
   0.75000000  0.25000000  0.75000000
   0.25000000  0.75000000  0.75000000
   0.75000000  0.75000000  0.75000000
   0.25000000  0.00000000  0.00000000
   0.75000000  0.00000000  0.00000000
   0.25000000  0.50000000  0.00000000
   0.75000000  0.50000000  0.00000000
   0.25000000  0.00000000  0.50000000
   0.75000000  0.00000000  0.50000000
   0.25000000  0.50000000  0.50000000
   0.75000000  0.50000000  0.50000000
   0.00000000  0.25000000  0.00000000
   0.50000000  0.25000000  0.00000000
   0.00000000  0.75000000  0.00000000
   0.50000000  0.75000000  0.00000000
   0.00000000  0.25000000  0.50000000
   0.50000000  0.25000000  0.50000000
   0.00000000  0.75000000  0.50000000
   0.50000000  0.75000000  0.50000000
   0.00000000  0.00000000  0.25000000
   0.50000000  0.00000000  0.25000000
   0.00000000  0.50000000  0.25000000
   0.50000000  0.50000000  0.25000000
   0.00000000  0.00000000  0.75000000
   0.50000000  0.00000000  0.75000000
   0.00000000  0.50000000  0.75000000
   0.50000000  0.50000000  0.75000000

 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   5.69030148  0.00000000  0.00000000
   0.00000000  5.69030148  0.00000000
   5.69030148  5.69030148  0.00000000
   0.00000000  0.00000000  5.69030148
   5.69030148  0.00000000  5.69030148
   0.00000000  5.69030148  5.69030148
   5.69030148  5.69030148  5.69030148
   0.00000000  2.84515074  2.84515074
   5.69030148  2.84515074  2.84515074
   0.00000000  8.53545221  2.84515074
   5.69030148  8.53545221  2.84515074
   0.00000000  2.84515074  8.53545221
   5.69030148  2.84515074  8.53545221
   0.00000000  8.53545221  8.53545221
   5.69030148  8.53545221  8.53545221
   2.84515074  0.00000000  2.84515074
   8.53545221  0.00000000  2.84515074
   2.84515074  5.69030148  2.84515074
   8.53545221  5.69030148  2.84515074
   2.84515074  0.00000000  8.53545221
   8.53545221  0.00000000  8.53545221
   2.84515074  5.69030148  8.53545221
   8.53545221  5.69030148  8.53545221
   2.84515074  2.84515074  0.00000000
   8.53545221  2.84515074  0.00000000
   2.84515074  8.53545221  0.00000000
   8.53545221  8.53545221  0.00000000
   2.84515074  2.84515074  5.69030148
   8.53545221  2.84515074  5.69030148
   2.84515074  8.53545221  5.69030148
   8.53545221  8.53545221  5.69030148
   2.84515074  2.84515074  2.84515074
   8.53545221  2.84515074  2.84515074
   2.84515074  8.53545221  2.84515074
   8.53545221  8.53545221  2.84515074
   2.84515074  2.84515074  8.53545221
   8.53545221  2.84515074  8.53545221
   2.84515074  8.53545221  8.53545221
   8.53545221  8.53545221  8.53545221
   2.84515074  0.00000000  0.00000000
   8.53545221  0.00000000  0.00000000
   2.84515074  5.69030148  0.00000000
   8.53545221  5.69030148  0.00000000
   2.84515074  0.00000000  5.69030148
   8.53545221  0.00000000  5.69030148
   2.84515074  5.69030148  5.69030148
   8.53545221  5.69030148  5.69030148
   0.00000000  2.84515074  0.00000000
   5.69030148  2.84515074  0.00000000
   0.00000000  8.53545221  0.00000000
   5.69030148  8.53545221  0.00000000
   0.00000000  2.84515074  5.69030148
   5.69030148  2.84515074  5.69030148
   0.00000000  8.53545221  5.69030148
   5.69030148  8.53545221  5.69030148
   0.00000000  0.00000000  2.84515074
   5.69030148  0.00000000  2.84515074
   0.00000000  5.69030148  2.84515074
   5.69030148  5.69030148  2.84515074
   0.00000000  0.00000000  8.53545221
   5.69030148  0.00000000  8.53545221
   0.00000000  5.69030148  8.53545221
   5.69030148  5.69030148  8.53545221



--------------------------------------------------------------------------------------------------------


 k-point  1 :  0.25000.25000.2500  plane waves:   17422

 maximum and minimum number of plane-waves per node :     17422    17422

 maximum number of plane-waves:     17422
 maximum index in each direction:
   IXMAX=   15   IYMAX=   15   IZMAX=   15
   IXMIN=  -16   IYMIN=  -16   IZMIN=  -16

 NGX is ok and might be reduce to  64
 NGY is ok and might be reduce to  64
 NGZ is ok and might be reduce to  64

 serial   3D FFT for wavefunctions
 parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


 total amount of memory used by VASP on root node   124982. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :      20072. kBytes
   fftplans  :      39562. kBytes
   grid      :      25395. kBytes
   one-center:        196. kBytes
   wavefun   :       9757. kBytes

 Broyden mixing: mesh for mixing (old mesh)
   NGX = 33   NGY = 33   NGZ = 33
  (NGX  =128   NGY  =128   NGZ  =128)
  gives a total of  35937 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron     448.0000000 magnetization
 keeping initial charge density in first step


--------------------------------------------------------------------------------------------------------


 Maximum index for augmentation-charges         4993 (set IRDMAX)


--------------------------------------------------------------------------------------------------------


 First call to EWALD:  gamma=   0.156
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.02: real time    0.02


----------------------------------------- Iteration    1(   1)  ---------------------------------------


    POTLOK:  cpu time    0.72: real time    0.73
    SETDIJ:  cpu time    0.48: real time    0.47
     EDDAV:  cpu time    7.52: real time    7.56
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    8.72: real time    8.78

 eigenvalue-minimisations  :   600
 total energy-change (2. order) : 0.4081242E+04  (-0.1636403E+05)
 number of electron     448.0000000 magnetization
 augmentation part      448.0000000 magnetization

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9185.63326179
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1431.91611847
  PAW double counting   =     21065.31730818   -23903.28520446
  entropy T*S    EENTRO =        -0.21481369
  eigenvalues    EBANDS =     -1102.68485878
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      4081.24164692 eV

  energy without entropy =     4081.45646060  energy(sigma->0) =     4081.34905376


--------------------------------------------------------------------------------------------------------


 E-fermi :  15.5570     XC(G=0):  -8.3739     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -16.7007      2.00000
      2     -16.5045      2.00000
      3     -16.3696      2.00000
      4     -16.1517      2.00000
      5     -16.1051      2.00000
      6     -16.0673      2.00000
      7     -15.9541      2.00000
      8     -15.8718      2.00000
      9     -15.7586      2.00000
     10     -15.6526      2.00000
     11     -15.5767      2.00000
     12     -15.5308      2.00000
     13     -15.4756      2.00000
     14     -15.4204      2.00000
     15     -15.3368      2.00000
     16     -15.2668      2.00000
     17     -15.1825      2.00000
     18     -15.0934      2.00000
     19     -15.0404      2.00000
     20     -14.9916      2.00000
     21     -14.9353      2.00000
     22     -14.8033      2.00000
     23     -14.7883      2.00000
     24     -14.7139      2.00000
     25     -14.6603      2.00000
     26     -14.5919      2.00000
     27     -14.4940      2.00000
     28     -14.4725      2.00000
     29     -14.4045      2.00000
     30     -14.3019      2.00000
     31     -14.2793      2.00000
     32     -14.2449      2.00000
     33     -14.1731      2.00000
     34     -14.1575      2.00000
     35     -14.0711      2.00000
     36     -13.9730      2.00000
     37     -13.9130      2.00000
     38     -13.8574      2.00000
     39     -13.8456      2.00000
     40     -13.7534      2.00000
     41     -13.7080      2.00000
     42     -13.6656      2.00000
     43     -13.6107      2.00000
     44     -13.5174      2.00000
     45     -13.4622      2.00000
     46     -13.4289      2.00000
     47     -13.3279      2.00000
     48     -13.2005      2.00000
     49     -13.1650      2.00000
     50     -13.1266      2.00000
     51     -13.0027      2.00000
     52     -12.9743      2.00000
     53     -12.8300      2.00000
     54     -12.7981      2.00000
     55     -12.7345      2.00000
     56     -12.6910      2.00000
     57     -12.6334      2.00000
     58     -12.5162      2.00000
     59     -12.4557      2.00000
     60     -12.3817      2.00000
     61     -12.3075      2.00000
     62     -12.2573      2.00000
     63     -12.2132      2.00000
     64     -12.1142      2.00000
     65     -12.0821      2.00000
     66     -11.9927      2.00000
     67     -11.9268      2.00000
     68     -11.8623      2.00000
     69     -11.7753      2.00000
     70     -11.6822      2.00000
     71     -11.6130      2.00000
     72     -11.5590      2.00000
     73     -11.4705      2.00000
     74     -11.4409      2.00000
     75     -11.3356      2.00000
     76     -11.2602      2.00000
     77     -11.1912      2.00000
     78     -11.1252      2.00000
     79     -11.0050      2.00000
     80     -10.9257      2.00000
     81     -10.8506      2.00000
     82     -10.7352      2.00000
     83     -10.6075      2.00000
     84     -10.5654      2.00000
     85     -10.4997      2.00000
     86     -10.4409      2.00000
     87     -10.3057      2.00000
     88     -10.1937      2.00000
     89     -10.1106      2.00000
     90     -10.0328      2.00000
     91      -9.9831      2.00000
     92      -9.8562      2.00000
     93      -9.6495      2.00000
     94      -9.5215      2.00000
     95      -9.3795      2.00000
     96      -8.9899      2.00000
     97      -6.2606      2.00000
     98      -5.5842      2.00000
     99      -5.3795      2.00000
    100      -5.2771      2.00000
    101      -5.0882      2.00000
    102      -4.8931      2.00000
    103      -4.6782      2.00000
    104      -4.5862      2.00000
    105      -4.4248      2.00000
    106      -4.1718      2.00000
    107      -3.9553      2.00000
    108      -3.7278      2.00000
    109      -3.5809      2.00000
    110      -3.3308      2.00000
    111      -3.0894      2.00000
    112      -2.8737      2.00000
    113      -2.7953      2.00000
    114      -2.5704      2.00000
    115      -2.2965      2.00000
    116      -2.1785      2.00000
    117      -1.8869      2.00000
    118      -1.6742      2.00000
    119      -1.5563      2.00000
    120      -1.4680      2.00000
    121      -1.2370      2.00000
    122      -1.1048      2.00000
    123      -0.6679      2.00000
    124      -0.3308      2.00000
    125       0.0629      2.00000
    126       0.3348      2.00000
    127       0.5186      2.00000
    128       1.0355      2.00000
    129       1.7970      2.00000
    130       1.8808      2.00000
    131       2.1686      2.00000
    132       2.2656      2.00000
    133       2.3761      2.00000
    134       2.4536      2.00000
    135       2.6556      2.00000
    136       2.9324      2.00000
    137       3.0333      2.00000
    138       3.1052      2.00000
    139       3.2049      2.00000
    140       3.3269      2.00000
    141       3.4042      2.00000
    142       3.6006      2.00000
    143       3.7520      2.00000
    144       3.8482      2.00000
    145       3.9446      2.00000
    146       4.0649      2.00000
    147       4.1371      2.00000
    148       4.3303      2.00000
    149       4.4522      2.00000
    150       4.4977      2.00000
    151       4.5955      2.00000
    152       4.7167      2.00000
    153       4.8221      2.00000
    154       4.9811      2.00000
    155       5.0722      2.00000
    156       5.2701      2.00000
    157       5.3475      2.00000
    158       5.5037      2.00000
    159       5.5529      2.00000
    160       5.6560      2.00000
    161       5.8329      2.00000
    162       5.9443      2.00000
    163       5.9860      2.00000
    164       6.1417      2.00000
    165       6.3322      2.00000
    166       6.4948      2.00000
    167       6.6332      2.00000
    168       6.7923      2.00000
    169       6.8675      2.00000
    170       7.0983      2.00000
    171       7.2402      2.00000
    172       7.3441      2.00000
    173       7.5228      2.00000
    174       7.5849      2.00000
    175       7.7961      2.00000
    176       7.8514      2.00000
    177       7.9697      2.00000
    178       8.1784      2.00000
    179       8.2571      2.00000
    180       8.4536      2.00000
    181       8.6216      2.00000
    182       8.6720      2.00000
    183       8.8266      2.00000
    184       9.0752      2.00000
    185       9.1076      2.00000
    186       9.4142      2.00000
    187       9.5067      2.00000
    188       9.6879      2.00000
    189       9.8578      2.00000
    190      10.0925      2.00000
    191      10.1629      2.00000
    192      10.4242      2.00000
    193      10.5274      2.00000
    194      10.6919      2.00000
    195      10.7852      2.00000
    196      11.0427      2.00000
    197      11.1891      2.00000
    198      11.2766      2.00000
    199      11.4072      2.00000
    200      11.5383      2.00000
    201      11.7765      2.00000
    202      11.8412      2.00000
    203      12.0797      2.00000
    204      12.2444      2.00000
    205      12.3604      2.00000
    206      12.4930      2.00000
    207      12.6947      2.00000
    208      12.8681      2.00000
    209      12.9883      2.00000
    210      13.2990      2.00000
    211      13.4525      2.00000
    212      13.6381      2.00000
    213      13.7892      2.00000
    214      13.9291      2.00000
    215      14.0651      2.00000
    216      14.2681      2.00000
    217      14.3038      2.00000
    218      14.4557      2.00000
    219      14.6827      2.00000
    220      14.7614      2.00000
    221      15.0227      1.99984
    222      15.1235      1.99783
    223      15.3247      1.89951
    224      15.4434      1.57809
    225      15.6564      0.48201
    226      15.8440      0.04246
    227      16.0731      0.00026
    228      16.3319      0.00000
    229      16.4994      0.00000
    230      16.6427      0.00000
    231      16.7897      0.00000
    232      17.0492      0.00000
    233      17.1896      0.00000
    234      17.4048      0.00000
    235      17.5790      0.00000
    236      17.7011      0.00000
    237      17.8735      0.00000
    238      18.1331      0.00000
    239      18.4041      0.00000
    240      18.7329      0.00000
    241      18.7865      0.00000
    242      18.9132      0.00000
    243      19.2558      0.00000
    244      19.6335      0.00000
    245      19.8064      0.00000
    246      19.9343      0.00000
    247      20.1430      0.00000
    248      20.6223      0.00000
    249      20.9625      0.00000
    250      21.4010      0.00000
    251      21.6042      0.00000
    252      22.1982      0.00000
    253      22.4678      0.00000
    254      22.7532      0.00000
    255      23.5895      0.00000
    256      24.0348      0.00000
    257      24.2810      0.00000
    258      24.8153      0.00000
    259      25.4174      0.00000
    260      25.7274      0.00000
    261      26.1741      0.00000
    262      26.5720      0.00000
    263      27.1658      0.00000
    264      28.2246      0.00000
    265      29.1519      0.00000
    266      30.1385      0.00000
    267      30.3920      0.00000
    268      31.2776      0.00000
    269      32.3249      0.00000
    270      33.6885      0.00000
    271      34.3446      0.00000
    272      35.4904      0.00000


----------------------------------------- Iteration    1(   2)  ---------------------------------------


     EDDAV:  cpu time    7.80: real time    7.84
       DOS:  cpu time    0.01: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    7.82: real time    7.85

 eigenvalue-minimisations  :   624
 total energy-change (2. order) :-0.3801645E+04  (-0.3667033E+04)
 number of electron     448.0000000 magnetization
 augmentation part      448.0000000 magnetization

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9185.63326179
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1431.91611847
  PAW double counting   =     21065.31730818   -23903.28520446
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -4904.54508908
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =       279.59623030 eV

  energy without entropy =      279.59623030  energy(sigma->0) =      279.59623030


--------------------------------------------------------------------------------------------------------


 E-fermi :   3.2610     XC(G=0):  -8.3739     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -20.7707      2.00000
      2     -20.7616      2.00000
      3     -20.7601      2.00000
      4     -20.7532      2.00000
      5     -20.7504      2.00000
      6     -20.7416      2.00000
      7     -20.7394      2.00000
      8     -20.7309      2.00000
      9     -20.7276      2.00000
     10     -20.7235      2.00000
     11     -20.7200      2.00000
     12     -20.7181      2.00000
     13     -20.7151      2.00000
     14     -20.7088      2.00000
     15     -20.7051      2.00000
     16     -20.7015      2.00000
     17     -20.6949      2.00000
     18     -20.6929      2.00000
     19     -20.6864      2.00000
     20     -20.6814      2.00000
     21     -20.6777      2.00000
     22     -20.6750      2.00000
     23     -20.6684      2.00000
     24     -20.6628      2.00000
     25     -20.6569      2.00000
     26     -20.6530      2.00000
     27     -20.6507      2.00000
     28     -20.6432      2.00000
     29     -20.6347      2.00000
     30     -20.6298      2.00000
     31     -20.6263      2.00000
     32     -20.6243      2.00000
     33     -20.6171      2.00000
     34     -20.6131      2.00000
     35     -20.6069      2.00000
     36     -20.5970      2.00000
     37     -20.5932      2.00000
     38     -20.5864      2.00000
     39     -20.5809      2.00000
     40     -20.5738      2.00000
     41     -20.5694      2.00000
     42     -20.5655      2.00000
     43     -20.5526      2.00000
     44     -20.5471      2.00000
     45     -20.5403      2.00000
     46     -20.5293      2.00000
     47     -20.5235      2.00000
     48     -20.5139      2.00000
     49     -20.5067      2.00000
     50     -20.4976      2.00000
     51     -20.4853      2.00000
     52     -20.4827      2.00000
     53     -20.4748      2.00000
     54     -20.4683      2.00000
     55     -20.4574      2.00000
     56     -20.4474      2.00000
     57     -20.4299      2.00000
     58     -20.4209      2.00000
     59     -20.4075      2.00000
     60     -20.3967      2.00000
     61     -20.3915      2.00000
     62     -20.3704      2.00000
     63     -20.3618      2.00000
     64     -20.3488      2.00000
     65     -20.3310      2.00000
     66     -20.3192      2.00000
     67     -20.3023      2.00000
     68     -20.2925      2.00000
     69     -20.2736      2.00000
     70     -20.2663      2.00000
     71     -20.2514      2.00000
     72     -20.2333      2.00000
     73     -20.2154      2.00000
     74     -20.2024      2.00000
     75     -20.1860      2.00000
     76     -20.1789      2.00000
     77     -20.1610      2.00000
     78     -20.1501      2.00000
     79     -20.1181      2.00000
     80     -20.1070      2.00000
     81     -20.0712      2.00000
     82     -20.0555      2.00000
     83     -20.0414      2.00000
     84     -20.0215      2.00000
     85     -20.0072      2.00000
     86     -19.9569      2.00000
     87     -19.9443      2.00000
     88     -19.9299      2.00000
     89     -19.8663      2.00000
     90     -19.8322      2.00000
     91     -19.8080      2.00000
     92     -19.7791      2.00000
     93     -19.7585      2.00000
     94     -19.7129      2.00000
     95     -19.6653      2.00000
     96     -19.6445      2.00000
     97     -13.4390      2.00000
     98     -13.3078      2.00000
     99     -13.2149      2.00000
    100     -13.1765      2.00000
    101     -13.1636      2.00000
    102     -13.1382      2.00000
    103     -13.0933      2.00000
    104     -13.0369      2.00000
    105     -13.0054      2.00000
    106     -12.9550      2.00000
    107     -12.9315      2.00000
    108     -12.8614      2.00000
    109     -12.8013      2.00000
    110     -12.7657      2.00000
    111     -12.7314      2.00000
    112     -12.6891      2.00000
    113     -12.6411      2.00000
    114     -12.5839      2.00000
    115     -12.5641      2.00000
    116     -12.4725      2.00000
    117     -12.4008      2.00000
    118     -12.3288      2.00000
    119     -12.3128      2.00000
    120     -12.1686      2.00000
    121     -12.0390      2.00000
    122     -11.9876      2.00000
    123     -11.9455      2.00000
    124     -11.8039      2.00000
    125     -11.7612      2.00000
    126     -11.6083      2.00000
    127     -11.4793      2.00000
    128     -11.1995      2.00000
    129      -2.4792      2.00000
    130      -2.4430      2.00000
    131      -2.3974      2.00000
    132      -2.3246      2.00000
    133      -2.3153      2.00000
    134      -2.2713      2.00000
    135      -2.2464      2.00000
    136      -2.2335      2.00000
    137      -2.1877      2.00000
    138      -2.1600      2.00000
    139      -2.1206      2.00000
    140      -2.0995      2.00000
    141      -2.0664      2.00000
    142      -2.0237      2.00000
    143      -1.9922      2.00000
    144      -1.9610      2.00000
    145      -1.9484      2.00000
    146      -1.9204      2.00000
    147      -1.8946      2.00000
    148      -1.8633      2.00000
    149      -1.8397      2.00000
    150      -1.7892      2.00000
    151      -1.7497      2.00000
    152      -1.7220      2.00000
    153      -1.6903      2.00000
    154      -1.6844      2.00000
    155      -1.6564      2.00000
    156      -1.6243      2.00000
    157      -1.6025      2.00000
    158      -1.5740      2.00000
    159      -1.5287      2.00000
    160      -1.4898      2.00000
    161      -1.4691      2.00000
    162      -1.4508      2.00000
    163      -1.4225      2.00000
    164      -1.3897      2.00000
    165      -1.3712      2.00000
    166      -1.3294      2.00000
    167      -1.3042      2.00000
    168      -1.2800      2.00000
    169      -1.2448      2.00000
    170      -1.2318      2.00000
    171      -1.2127      2.00000
    172      -1.1960      2.00000
    173      -1.1632      2.00000
    174      -1.1305      2.00000
    175      -1.1140      2.00000
    176      -1.0616      2.00000
    177      -1.0527      2.00000
    178      -1.0273      2.00000
    179      -1.0080      2.00000
    180      -0.9841      2.00000
    181      -0.9691      2.00000
    182      -0.9333      2.00000
    183      -0.8665      2.00000
    184      -0.8489      2.00000
    185      -0.8234      2.00000
    186      -0.8145      2.00000
    187      -0.7973      2.00000
    188      -0.7534      2.00000
    189      -0.7164      2.00000
    190      -0.6835      2.00000
    191      -0.6513      2.00000
    192      -0.6198      2.00000
    193      -0.5805      2.00000
    194      -0.5723      2.00000
    195      -0.5336      2.00000
    196      -0.4987      2.00000
    197      -0.4876      2.00000
    198      -0.4219      2.00000
    199      -0.3675      2.00000
    200      -0.3459      2.00000
    201      -0.3318      2.00000
    202      -0.2828      2.00000
    203      -0.2678      2.00000
    204      -0.2028      2.00000
    205      -0.1732      2.00000
    206      -0.1016      2.00000
    207      -0.0710      2.00000
    208      -0.0094      2.00000
    209       0.0185      2.00000
    210       0.0477      2.00000
    211       0.1423      2.00000
    212       0.1979      2.00000
    213       0.2286      2.00000
    214       0.3401      2.00000
    215       0.4572      2.00000
    216       0.4966      2.00000
    217       0.5465      2.00000
    218       0.7586      2.00000
    219       0.8495      2.00000
    220       0.9256      2.00000
    221       0.9939      2.00000
    222       1.2898      2.00000
    223       1.8007      2.00000
    224       2.3371      2.00000
    225       6.5860      0.00000
    226       7.2529      0.00000
    227       7.4694      0.00000
    228       7.6283      0.00000
    229       7.7959      0.00000
    230       7.8477      0.00000
    231       7.9263      0.00000
    232       8.0554      0.00000
    233       8.1807      0.00000
    234       8.3521      0.00000
    235       8.4079      0.00000
    236       8.4964      0.00000
    237       8.5710      0.00000
    238       8.6115      0.00000
    239       8.8117      0.00000
    240       8.9300      0.00000
    241       9.0183      0.00000
    242       9.1751      0.00000
    243       9.2691      0.00000
    244       9.4608      0.00000
    245       9.5030      0.00000
    246       9.6041      0.00000
    247       9.7431      0.00000
    248       9.9000      0.00000
    249      10.2237      0.00000
    250      10.3573      0.00000
    251      10.4589      0.00000
    252      10.6386      0.00000
    253      10.7523      0.00000
    254      10.8980      0.00000
    255      11.0158      0.00000
    256      11.3095      0.00000
    257      11.4340      0.00000
    258      11.6731      0.00000
    259      11.8021      0.00000
    260      11.9786      0.00000
    261      12.0456      0.00000
    262      12.3652      0.00000
    263      12.5071      0.00000
    264      13.0292      0.00000
    265      13.1554      0.00000
    266      13.3415      0.00000
    267      13.6568      0.00000
    268      13.8204      0.00000
    269      14.1541      0.00000
    270      14.8750      0.00000
    271      15.1190      0.00000
    272      15.4813      0.00000


----------------------------------------- Iteration    1(   3)  ---------------------------------------


     EDDAV:  cpu time    7.79: real time    7.83
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    7.79: real time    7.83

 eigenvalue-minimisations  :   624
 total energy-change (2. order) :-0.4823483E+03  (-0.4794872E+03)
 number of electron     448.0000000 magnetization
 augmentation part      448.0000000 magnetization

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9185.63326179
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1431.91611847
  PAW double counting   =     21065.31730818   -23903.28520446
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5386.89337122
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -202.75205184 eV

  energy without entropy =     -202.75205184  energy(sigma->0) =     -202.75205184


--------------------------------------------------------------------------------------------------------


 E-fermi :  -0.8336     XC(G=0):  -8.3739     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -20.9410      2.00000
      2     -20.9399      2.00000
      3     -20.9397      2.00000
      4     -20.9382      2.00000
      5     -20.9362      2.00000
      6     -20.9353      2.00000
      7     -20.9351      2.00000
      8     -20.9348      2.00000
      9     -20.9343      2.00000
     10     -20.9338      2.00000
     11     -20.9335      2.00000
     12     -20.9333      2.00000
     13     -20.9326      2.00000
     14     -20.9320      2.00000
     15     -20.9316      2.00000
     16     -20.9313      2.00000
     17     -20.9311      2.00000
     18     -20.9307      2.00000
     19     -20.9304      2.00000
     20     -20.9302      2.00000
     21     -20.9294      2.00000
     22     -20.9290      2.00000
     23     -20.9286      2.00000
     24     -20.9280      2.00000
     25     -20.9275      2.00000
     26     -20.9269      2.00000
     27     -20.9264      2.00000
     28     -20.9257      2.00000
     29     -20.9249      2.00000
     30     -20.9244      2.00000
     31     -20.9240      2.00000
     32     -20.9238      2.00000
     33     -20.9234      2.00000
     34     -20.9230      2.00000
     35     -20.9228      2.00000
     36     -20.9225      2.00000
     37     -20.9221      2.00000
     38     -20.9218      2.00000
     39     -20.9215      2.00000
     40     -20.9211      2.00000
     41     -20.9208      2.00000
     42     -20.9206      2.00000
     43     -20.9203      2.00000
     44     -20.9201      2.00000
     45     -20.9197      2.00000
     46     -20.9195      2.00000
     47     -20.9194      2.00000
     48     -20.9190      2.00000
     49     -20.9188      2.00000
     50     -20.9184      2.00000
     51     -20.9182      2.00000
     52     -20.9179      2.00000
     53     -20.9176      2.00000
     54     -20.9173      2.00000
     55     -20.9168      2.00000
     56     -20.9166      2.00000
     57     -20.9163      2.00000
     58     -20.9161      2.00000
     59     -20.9158      2.00000
     60     -20.9157      2.00000
     61     -20.9152      2.00000
     62     -20.9149      2.00000
     63     -20.9146      2.00000
     64     -20.9143      2.00000
     65     -20.9138      2.00000
     66     -20.9131      2.00000
     67     -20.9128      2.00000
     68     -20.9124      2.00000
     69     -20.9118      2.00000
     70     -20.9117      2.00000
     71     -20.9112      2.00000
     72     -20.9110      2.00000
     73     -20.9103      2.00000
     74     -20.9099      2.00000
     75     -20.9096      2.00000
     76     -20.9094      2.00000
     77     -20.9082      2.00000
     78     -20.9080      2.00000
     79     -20.9069      2.00000
     80     -20.9060      2.00000
     81     -20.9051      2.00000
     82     -20.9042      2.00000
     83     -20.9037      2.00000
     84     -20.9029      2.00000
     85     -20.9015      2.00000
     86     -20.9000      2.00000
     87     -20.8991      2.00000
     88     -20.8967      2.00000
     89     -20.8955      2.00000
     90     -20.8931      2.00000
     91     -20.8905      2.00000
     92     -20.8899      2.00000
     93     -20.8874      2.00000
     94     -20.8858      2.00000
     95     -20.8837      2.00000
     96     -20.8798      2.00000
     97     -14.4325      2.00000
     98     -14.3367      2.00000
     99     -14.3340      2.00000
    100     -14.3168      2.00000
    101     -14.2759      2.00000
    102     -14.2626      2.00000
    103     -14.2558      2.00000
    104     -14.2314      2.00000
    105     -14.2279      2.00000
    106     -14.2220      2.00000
    107     -14.2097      2.00000
    108     -14.2044      2.00000
    109     -14.1947      2.00000
    110     -14.1895      2.00000
    111     -14.1854      2.00000
    112     -14.1804      2.00000
    113     -14.1788      2.00000
    114     -14.1715      2.00000
    115     -14.1689      2.00000
    116     -14.1655      2.00000
    117     -14.1592      2.00000
    118     -14.1556      2.00000
    119     -14.1496      2.00000
    120     -14.1440      2.00000
    121     -14.1356      2.00000
    122     -14.1314      2.00000
    123     -14.1235      2.00000
    124     -14.1182      2.00000
    125     -14.1157      2.00000
    126     -14.1031      2.00000
    127     -14.0932      2.00000
    128     -14.0781      2.00000
    129      -3.2555      2.00000
    130      -3.2515      2.00000
    131      -3.2335      2.00000
    132      -3.1650      2.00000
    133      -3.0729      2.00000
    134      -3.0637      2.00000
    135      -3.0570      2.00000
    136      -3.0403      2.00000
    137      -3.0385      2.00000
    138      -3.0309      2.00000
    139      -3.0226      2.00000
    140      -3.0165      2.00000
    141      -3.0111      2.00000
    142      -3.0040      2.00000
    143      -3.0006      2.00000
    144      -2.9840      2.00000
    145      -2.9384      2.00000
    146      -2.9292      2.00000
    147      -2.9233      2.00000
    148      -2.9171      2.00000
    149      -2.9103      2.00000
    150      -2.9033      2.00000
    151      -2.8973      2.00000
    152      -2.8867      2.00000
    153      -2.8751      2.00000
    154      -2.8445      2.00000
    155      -2.8367      2.00000
    156      -2.8196      2.00000
    157      -2.5849      2.00000
    158      -2.5754      2.00000
    159      -2.5709      2.00000
    160      -2.5615      2.00000
    161      -2.5555      2.00000
    162      -2.5497      2.00000
    163      -2.5283      2.00000
    164      -2.5156      2.00000
    165      -2.5098      2.00000
    166      -2.5020      2.00000
    167      -2.4973      2.00000
    168      -2.4864      2.00000
    169      -2.3506      2.00000
    170      -2.3444      2.00000
    171      -2.3376      2.00000
    172      -2.3216      2.00000
    173      -2.3134      2.00000
    174      -2.3040      2.00000
    175      -2.2954      2.00000
    176      -2.2905      2.00000
    177      -2.2845      2.00000
    178      -2.2406      2.00000
    179      -2.2351      2.00000
    180      -2.2276      2.00000
    181      -2.2232      2.00000
    182      -2.2142      2.00000
    183      -2.2061      2.00000
    184      -2.2010      2.00000
    185      -2.1955      2.00000
    186      -2.1842      2.00000
    187      -2.1515      2.00000
    188      -2.1356      2.00000
    189      -2.1318      2.00000
    190      -2.1201      2.00000
    191      -2.1139      2.00000
    192      -2.1023      2.00000
    193      -2.0902      2.00000
    194      -2.0842      2.00000
    195      -2.0765      2.00000
    196      -2.0742      2.00000
    197      -2.0695      2.00000
    198      -2.0670      2.00000
    199      -2.0623      2.00000
    200      -2.0576      2.00000
    201      -2.0523      2.00000
    202      -2.0477      2.00000
    203      -2.0438      2.00000
    204      -2.0379      2.00000
    205      -2.0337      2.00000
    206      -2.0257      2.00000
    207      -2.0182      2.00000
    208      -2.0110      2.00000
    209      -2.0034      2.00000
    210      -1.9936      2.00000
    211      -1.9807      2.00000
    212      -1.9323      2.00000
    213      -1.9242      2.00000
    214      -1.9161      2.00000
    215      -1.9075      2.00000
    216      -1.9043      2.00000
    217      -1.9014      2.00000
    218      -1.8919      2.00000
    219      -1.8882      2.00000
    220      -1.8785      2.00000
    221      -1.8674      2.00000
    222      -1.8410      2.00000
    223      -1.7716      2.00000
    224      -1.7595      2.00000
    225       4.4385      0.00000
    226       5.3747      0.00000
    227       5.4682      0.00000
    228       5.5078      0.00000
    229       5.9969      0.00000
    230       6.0431      0.00000
    231       6.0898      0.00000
    232       6.2141      0.00000
    233       6.5112      0.00000
    234       6.5406      0.00000
    235       6.6641      0.00000
    236       6.7139      0.00000
    237       6.7834      0.00000
    238       6.8676      0.00000
    239       6.9462      0.00000
    240       7.0022      0.00000
    241       7.0360      0.00000
    242       7.1214      0.00000
    243       7.1622      0.00000
    244       7.1885      0.00000
    245       7.2539      0.00000
    246       7.3611      0.00000
    247       7.4277      0.00000
    248       7.5825      0.00000
    249       7.6354      0.00000
    250       7.7634      0.00000
    251       7.7973      0.00000
    252       7.9234      0.00000
    253       8.0096      0.00000
    254       8.0864      0.00000
    255       8.1409      0.00000
    256       8.2704      0.00000
    257       8.3525      0.00000
    258       8.4732      0.00000
    259       8.5591      0.00000
    260       8.6062      0.00000
    261       8.7656      0.00000
    262       8.8079      0.00000
    263       8.8513      0.00000
    264       8.9302      0.00000
    265       9.0166      0.00000
    266       9.1420      0.00000
    267       9.1738      0.00000
    268       9.2821      0.00000
    269       9.3980      0.00000
    270       9.5706      0.00000
    271       9.6443      0.00000
    272       9.7798      0.00000


----------------------------------------- Iteration    1(   4)  ---------------------------------------


     EDDAV:  cpu time    7.86: real time    7.91
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    7.87: real time    7.92

 eigenvalue-minimisations  :   632
 total energy-change (2. order) :-0.1963608E+02  (-0.1954831E+02)
 number of electron     448.0000000 magnetization
 augmentation part      448.0000000 magnetization

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9185.63326179
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1431.91611847
  PAW double counting   =     21065.31730818   -23903.28520446
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5406.52945119
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -222.38813181 eV

  energy without entropy =     -222.38813181  energy(sigma->0) =     -222.38813181


--------------------------------------------------------------------------------------------------------


 E-fermi :  -0.8382     XC(G=0):  -8.3739     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -20.9472      2.00000
      2     -20.9472      2.00000
      3     -20.9470      2.00000
      4     -20.9454      2.00000
      5     -20.9413      2.00000
      6     -20.9412      2.00000
      7     -20.9412      2.00000
      8     -20.9411      2.00000
      9     -20.9410      2.00000
     10     -20.9409      2.00000
     11     -20.9408      2.00000
     12     -20.9408      2.00000
     13     -20.9406      2.00000
     14     -20.9379      2.00000
     15     -20.9378      2.00000
     16     -20.9378      2.00000
     17     -20.9375      2.00000
     18     -20.9373      2.00000
     19     -20.9372      2.00000
     20     -20.9370      2.00000
     21     -20.9370      2.00000
     22     -20.9369      2.00000
     23     -20.9368      2.00000
     24     -20.9368      2.00000
     25     -20.9367      2.00000
     26     -20.9365      2.00000
     27     -20.9363      2.00000
     28     -20.9363      2.00000
     29     -20.9303      2.00000
     30     -20.9303      2.00000
     31     -20.9302      2.00000
     32     -20.9300      2.00000
     33     -20.9300      2.00000
     34     -20.9299      2.00000
     35     -20.9298      2.00000
     36     -20.9297      2.00000
     37     -20.9297      2.00000
     38     -20.9286      2.00000
     39     -20.9285      2.00000
     40     -20.9283      2.00000
     41     -20.9275      2.00000
     42     -20.9274      2.00000
     43     -20.9273      2.00000
     44     -20.9254      2.00000
     45     -20.9254      2.00000
     46     -20.9253      2.00000
     47     -20.9253      2.00000
     48     -20.9252      2.00000
     49     -20.9252      2.00000
     50     -20.9251      2.00000
     51     -20.9250      2.00000
     52     -20.9250      2.00000
     53     -20.9249      2.00000
     54     -20.9249      2.00000
     55     -20.9248      2.00000
     56     -20.9247      2.00000
     57     -20.9247      2.00000
     58     -20.9246      2.00000
     59     -20.9234      2.00000
     60     -20.9233      2.00000
     61     -20.9232      2.00000
     62     -20.9228      2.00000
     63     -20.9227      2.00000
     64     -20.9226      2.00000
     65     -20.9222      2.00000
     66     -20.9219      2.00000
     67     -20.9219      2.00000
     68     -20.9218      2.00000
     69     -20.9217      2.00000
     70     -20.9217      2.00000
     71     -20.9215      2.00000
     72     -20.9213      2.00000
     73     -20.9213      2.00000
     74     -20.9212      2.00000
     75     -20.9211      2.00000
     76     -20.9211      2.00000
     77     -20.9210      2.00000
     78     -20.9210      2.00000
     79     -20.9208      2.00000
     80     -20.9208      2.00000
     81     -20.9205      2.00000
     82     -20.9204      2.00000
     83     -20.9203      2.00000
     84     -20.9199      2.00000
     85     -20.9198      2.00000
     86     -20.9197      2.00000
     87     -20.9194      2.00000
     88     -20.9193      2.00000
     89     -20.9192      2.00000
     90     -20.9191      2.00000
     91     -20.9190      2.00000
     92     -20.9184      2.00000
     93     -20.9183      2.00000
     94     -20.9182      2.00000
     95     -20.9178      2.00000
     96     -20.9175      2.00000
     97     -14.4820      2.00000
     98     -14.3947      2.00000
     99     -14.3945      2.00000
    100     -14.3940      2.00000
    101     -14.3285      2.00000
    102     -14.3279      2.00000
    103     -14.3276      2.00000
    104     -14.2839      2.00000
    105     -14.2836      2.00000
    106     -14.2834      2.00000
    107     -14.2831      2.00000
    108     -14.2492      2.00000
    109     -14.2489      2.00000
    110     -14.2485      2.00000
    111     -14.2484      2.00000
    112     -14.2482      2.00000
    113     -14.2478      2.00000
    114     -14.2369      2.00000
    115     -14.2366      2.00000
    116     -14.2363      2.00000
    117     -14.2156      2.00000
    118     -14.2154      2.00000
    119     -14.2151      2.00000
    120     -14.2148      2.00000
    121     -14.2146      2.00000
    122     -14.2142      2.00000
    123     -14.2040      2.00000
    124     -14.2037      2.00000
    125     -14.2036      2.00000
    126     -14.2034      2.00000
    127     -14.2029      2.00000
    128     -14.2026      2.00000
    129      -3.3281      2.00000
    130      -3.3274      2.00000
    131      -3.3265      2.00000
    132      -3.2334      2.00000
    133      -3.1329      2.00000
    134      -3.1324      2.00000
    135      -3.1315      2.00000
    136      -3.0999      2.00000
    137      -3.0984      2.00000
    138      -3.0977      2.00000
    139      -3.0929      2.00000
    140      -3.0927      2.00000
    141      -3.0923      2.00000
    142      -3.0916      2.00000
    143      -3.0914      2.00000
    144      -3.0909      2.00000
    145      -2.9991      2.00000
    146      -2.9985      2.00000
    147      -2.9982      2.00000
    148      -2.9979      2.00000
    149      -2.9974      2.00000
    150      -2.9963      2.00000
    151      -2.9668      2.00000
    152      -2.9658      2.00000
    153      -2.9650      2.00000
    154      -2.9086      2.00000
    155      -2.9081      2.00000
    156      -2.9072      2.00000
    157      -2.6375      2.00000
    158      -2.6367      2.00000
    159      -2.6364      2.00000
    160      -2.6361      2.00000
    161      -2.6357      2.00000
    162      -2.6348      2.00000
    163      -2.5883      2.00000
    164      -2.5877      2.00000
    165      -2.5873      2.00000
    166      -2.5660      2.00000
    167      -2.5652      2.00000
    168      -2.5645      2.00000
    169      -2.4052      2.00000
    170      -2.4045      2.00000
    171      -2.4041      2.00000
    172      -2.3693      2.00000
    173      -2.3688      2.00000
    174      -2.3683      2.00000
    175      -2.3678      2.00000
    176      -2.3674      2.00000
    177      -2.3666      2.00000
    178      -2.2862      2.00000
    179      -2.2859      2.00000
    180      -2.2855      2.00000
    181      -2.2850      2.00000
    182      -2.2846      2.00000
    183      -2.2841      2.00000
    184      -2.2609      2.00000
    185      -2.2602      2.00000
    186      -2.2594      2.00000
    187      -2.2079      2.00000
    188      -2.2069      2.00000
    189      -2.2063      2.00000
    190      -2.1732      2.00000
    191      -2.1730      2.00000
    192      -2.1727      2.00000
    193      -2.1428      2.00000
    194      -2.1422      2.00000
    195      -2.1417      2.00000
    196      -2.1237      2.00000
    197      -2.1232      2.00000
    198      -2.1221      2.00000
    199      -2.1171      2.00000
    200      -2.1167      2.00000
    201      -2.1160      2.00000
    202      -2.1002      2.00000
    203      -2.0996      2.00000
    204      -2.0992      2.00000
    205      -2.0988      2.00000
    206      -2.0987      2.00000
    207      -2.0981      2.00000
    208      -2.0979      2.00000
    209      -2.0654      2.00000
    210      -2.0648      2.00000
    211      -2.0643      2.00000
    212      -1.9906      2.00000
    213      -1.9902      2.00000
    214      -1.9664      2.00000
    215      -1.9657      2.00000
    216      -1.9652      2.00000
    217      -1.9582      2.00000
    218      -1.9576      2.00000
    219      -1.9573      2.00000
    220      -1.9381      2.00000
    221      -1.9377      2.00000
    222      -1.9371      2.00000
    223      -1.8322      2.00000
    224      -1.8319      2.00000
    225       4.2389      0.00000
    226       5.1855      0.00000
    227       5.1876      0.00000
    228       5.1922      0.00000
    229       5.8139      0.00000
    230       5.8182      0.00000
    231       5.8327      0.00000
    232       5.8649      0.00000
    233       6.3586      0.00000
    234       6.3609      0.00000
    235       6.3726      0.00000
    236       6.3910      0.00000
    237       6.4142      0.00000
    238       6.4177      0.00000
    239       6.7161      0.00000
    240       6.7310      0.00000
    241       6.7408      0.00000
    242       6.7951      0.00000
    243       6.8005      0.00000
    244       6.8155      0.00000
    245       6.8284      0.00000
    246       6.8465      0.00000
    247       6.9086      0.00000
    248       7.1774      0.00000
    249       7.1913      0.00000
    250       7.2051      0.00000
    251       7.2443      0.00000
    252       7.2724      0.00000
    253       7.3088      0.00000
    254       7.4451      0.00000
    255       7.4764      0.00000
    256       7.5089      0.00000
    257       7.5602      0.00000
    258       7.5981      0.00000
    259       7.6692      0.00000
    260       7.7354      0.00000
    261       7.8526      0.00000
    262       7.9407      0.00000
    263       8.0021      0.00000
    264       8.1030      0.00000
    265       8.1610      0.00000
    266       8.2263      0.00000
    267       8.2782      0.00000
    268       8.4339      0.00000
    269       8.5222      0.00000
    270       8.5654      0.00000
    271       8.6476      0.00000
    272       8.7201      0.00000


----------------------------------------- Iteration    1(   5)  ---------------------------------------


     EDDAV:  cpu time    9.55: real time    9.59
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.08: real time    1.08
    MIXING:  cpu time    0.00: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   10.64: real time   10.68

 eigenvalue-minimisations  :   816
 total energy-change (2. order) :-0.9282608E+00  (-0.9281479E+00)
 number of electron     447.9999923 magnetization
 augmentation part      111.8540059 magnetization

 Broyden mixing:
  rms(total) = 0.10569E+01    rms(broyden)= 0.10565E+01
  rms(prec ) = 0.15931E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9185.63326179
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1431.91611847
  PAW double counting   =     21065.31730818   -23903.28520446
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5407.45771200
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -223.31639262 eV

  energy without entropy =     -223.31639262  energy(sigma->0) =     -223.31639262


--------------------------------------------------------------------------------------------------------


 E-fermi :  -0.8236     XC(G=0):  -8.3739     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -20.9477      2.00000
      2     -20.9477      2.00000
      3     -20.9476      2.00000
      4     -20.9458      2.00000
      5     -20.9417      2.00000
      6     -20.9417      2.00000
      7     -20.9417      2.00000
      8     -20.9414      2.00000
      9     -20.9414      2.00000
     10     -20.9414      2.00000
     11     -20.9414      2.00000
     12     -20.9414      2.00000
     13     -20.9414      2.00000
     14     -20.9383      2.00000
     15     -20.9383      2.00000
     16     -20.9383      2.00000
     17     -20.9378      2.00000
     18     -20.9378      2.00000
     19     -20.9378      2.00000
     20     -20.9373      2.00000
     21     -20.9373      2.00000
     22     -20.9373      2.00000
     23     -20.9373      2.00000
     24     -20.9373      2.00000
     25     -20.9373      2.00000
     26     -20.9369      2.00000
     27     -20.9369      2.00000
     28     -20.9369      2.00000
     29     -20.9307      2.00000
     30     -20.9307      2.00000
     31     -20.9307      2.00000
     32     -20.9304      2.00000
     33     -20.9304      2.00000
     34     -20.9304      2.00000
     35     -20.9304      2.00000
     36     -20.9304      2.00000
     37     -20.9304      2.00000
     38     -20.9290      2.00000
     39     -20.9290      2.00000
     40     -20.9290      2.00000
     41     -20.9278      2.00000
     42     -20.9278      2.00000
     43     -20.9278      2.00000
     44     -20.9258      2.00000
     45     -20.9258      2.00000
     46     -20.9258      2.00000
     47     -20.9258      2.00000
     48     -20.9258      2.00000
     49     -20.9258      2.00000
     50     -20.9254      2.00000
     51     -20.9254      2.00000
     52     -20.9254      2.00000
     53     -20.9254      2.00000
     54     -20.9254      2.00000
     55     -20.9254      2.00000
     56     -20.9253      2.00000
     57     -20.9253      2.00000
     58     -20.9253      2.00000
     59     -20.9238      2.00000
     60     -20.9238      2.00000
     61     -20.9238      2.00000
     62     -20.9232      2.00000
     63     -20.9232      2.00000
     64     -20.9232      2.00000
     65     -20.9228      2.00000
     66     -20.9223      2.00000
     67     -20.9223      2.00000
     68     -20.9223      2.00000
     69     -20.9221      2.00000
     70     -20.9221      2.00000
     71     -20.9221      2.00000
     72     -20.9218      2.00000
     73     -20.9218      2.00000
     74     -20.9218      2.00000
     75     -20.9215      2.00000
     76     -20.9215      2.00000
     77     -20.9215      2.00000
     78     -20.9215      2.00000
     79     -20.9215      2.00000
     80     -20.9215      2.00000
     81     -20.9209      2.00000
     82     -20.9209      2.00000
     83     -20.9209      2.00000
     84     -20.9203      2.00000
     85     -20.9203      2.00000
     86     -20.9203      2.00000
     87     -20.9198      2.00000
     88     -20.9198      2.00000
     89     -20.9198      2.00000
     90     -20.9197      2.00000
     91     -20.9197      2.00000
     92     -20.9189      2.00000
     93     -20.9189      2.00000
     94     -20.9189      2.00000
     95     -20.9183      2.00000
     96     -20.9183      2.00000
     97     -14.4838      2.00000
     98     -14.3966      2.00000
     99     -14.3966      2.00000
    100     -14.3966      2.00000
    101     -14.3303      2.00000
    102     -14.3302      2.00000
    103     -14.3302      2.00000
    104     -14.2858      2.00000
    105     -14.2858      2.00000
    106     -14.2858      2.00000
    107     -14.2857      2.00000
    108     -14.2508      2.00000
    109     -14.2508      2.00000
    110     -14.2508      2.00000
    111     -14.2508      2.00000
    112     -14.2508      2.00000
    113     -14.2508      2.00000
    114     -14.2388      2.00000
    115     -14.2388      2.00000
    116     -14.2388      2.00000
    117     -14.2175      2.00000
    118     -14.2174      2.00000
    119     -14.2174      2.00000
    120     -14.2170      2.00000
    121     -14.2170      2.00000
    122     -14.2170      2.00000
    123     -14.2056      2.00000
    124     -14.2056      2.00000
    125     -14.2056      2.00000
    126     -14.2056      2.00000
    127     -14.2055      2.00000
    128     -14.2055      2.00000
    129      -3.3324      2.00000
    130      -3.3324      2.00000
    131      -3.3324      2.00000
    132      -3.2375      2.00000
    133      -3.1361      2.00000
    134      -3.1360      2.00000
    135      -3.1360      2.00000
    136      -3.1037      2.00000
    137      -3.1037      2.00000
    138      -3.1036      2.00000
    139      -3.0962      2.00000
    140      -3.0962      2.00000
    141      -3.0962      2.00000
    142      -3.0962      2.00000
    143      -3.0962      2.00000
    144      -3.0962      2.00000
    145      -3.0021      2.00000
    146      -3.0021      2.00000
    147      -3.0020      2.00000
    148      -3.0020      2.00000
    149      -3.0020      2.00000
    150      -3.0020      2.00000
    151      -2.9698      2.00000
    152      -2.9698      2.00000
    153      -2.9698      2.00000
    154      -2.9118      2.00000
    155      -2.9117      2.00000
    156      -2.9117      2.00000
    157      -2.6402      2.00000
    158      -2.6402      2.00000
    159      -2.6402      2.00000
    160      -2.6402      2.00000
    161      -2.6401      2.00000
    162      -2.6401      2.00000
    163      -2.5917      2.00000
    164      -2.5917      2.00000
    165      -2.5916      2.00000
    166      -2.5687      2.00000
    167      -2.5687      2.00000
    168      -2.5687      2.00000
    169      -2.4078      2.00000
    170      -2.4078      2.00000
    171      -2.4078      2.00000
    172      -2.3715      2.00000
    173      -2.3715      2.00000
    174      -2.3715      2.00000
    175      -2.3715      2.00000
    176      -2.3715      2.00000
    177      -2.3714      2.00000
    178      -2.2886      2.00000
    179      -2.2886      2.00000
    180      -2.2885      2.00000
    181      -2.2885      2.00000
    182      -2.2885      2.00000
    183      -2.2885      2.00000
    184      -2.2633      2.00000
    185      -2.2632      2.00000
    186      -2.2632      2.00000
    187      -2.2108      2.00000
    188      -2.2107      2.00000
    189      -2.2107      2.00000
    190      -2.1760      2.00000
    191      -2.1760      2.00000
    192      -2.1760      2.00000
    193      -2.1456      2.00000
    194      -2.1455      2.00000
    195      -2.1455      2.00000
    196      -2.1266      2.00000
    197      -2.1266      2.00000
    198      -2.1266      2.00000
    199      -2.1194      2.00000
    200      -2.1194      2.00000
    201      -2.1194      2.00000
    202      -2.1027      2.00000
    203      -2.1020      2.00000
    204      -2.1020      2.00000
    205      -2.1020      2.00000
    206      -2.1019      2.00000
    207      -2.1019      2.00000
    208      -2.1019      2.00000
    209      -2.0679      2.00000
    210      -2.0678      2.00000
    211      -2.0678      2.00000
    212      -1.9937      2.00000
    213      -1.9936      2.00000
    214      -1.9688      2.00000
    215      -1.9688      2.00000
    216      -1.9687      2.00000
    217      -1.9608      2.00000
    218      -1.9608      2.00000
    219      -1.9608      2.00000
    220      -1.9404      2.00000
    221      -1.9403      2.00000
    222      -1.9403      2.00000
    223      -1.8351      2.00000
    224      -1.8350      2.00000
    225       4.2355      0.00000
    226       5.1794      0.00000
    227       5.1794      0.00000
    228       5.1796      0.00000
    229       5.8023      0.00000
    230       5.8026      0.00000
    231       5.8032      0.00000
    232       5.8560      0.00000
    233       6.3499      0.00000
    234       6.3502      0.00000
    235       6.3505      0.00000
    236       6.3695      0.00000
    237       6.3706      0.00000
    238       6.3715      0.00000
    239       6.7065      0.00000
    240       6.7073      0.00000
    241       6.7081      0.00000
    242       6.7727      0.00000
    243       6.7734      0.00000
    244       6.7740      0.00000
    245       6.7750      0.00000
    246       6.7769      0.00000
    247       6.7822      0.00000
    248       7.1463      0.00000
    249       7.1484      0.00000
    250       7.1534      0.00000
    251       7.1728      0.00000
    252       7.1791      0.00000
    253       7.1845      0.00000
    254       7.3916      0.00000
    255       7.3973      0.00000
    256       7.4021      0.00000
    257       7.4128      0.00000
    258       7.4198      0.00000
    259       7.4355      0.00000
    260       7.6481      0.00000
    261       7.6725      0.00000
    262       7.6982      0.00000
    263       7.8648      0.00000
    264       7.8914      0.00000
    265       7.9275      0.00000
    266       7.9519      0.00000
    267       7.9876      0.00000
    268       8.1766      0.00000
    269       8.3019      0.00000
    270       8.3525      0.00000
    271       8.4220      0.00000
    272       8.5723      0.00000


----------------------------------------- Iteration    1(   6)  ---------------------------------------


    POTLOK:  cpu time    0.71: real time    0.72
    SETDIJ:  cpu time    0.48: real time    0.48
     EDDAV:  cpu time    7.66: real time    7.69
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.08: real time    1.07
    MIXING:  cpu time    0.21: real time    0.22
    --------------------------------------------
      LOOP:  cpu time   10.15: real time   10.20

 eigenvalue-minimisations  :   616
 total energy-change (2. order) : 0.6320661E+01  (-0.1521289E+01)
 number of electron     447.9999924 magnetization
 augmentation part      112.7066975 magnetization

 Broyden mixing:
  rms(total) = 0.47069E+00    rms(broyden)= 0.47054E+00
  rms(prec ) = 0.67257E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2876
  1.2876

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9282.79579574
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1443.46952710
  PAW double counting   =     21459.12058427   -24296.43204403
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5316.18436171
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.99573113 eV

  energy without entropy =     -216.99573113  energy(sigma->0) =     -216.99573113


--------------------------------------------------------------------------------------------------------


 E-fermi :  -0.1895     XC(G=0):  -8.2457     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.3105      2.00000
      2     -21.3105      2.00000
      3     -21.3105      2.00000
      4     -21.3088      2.00000
      5     -21.3055      2.00000
      6     -21.3054      2.00000
      7     -21.3054      2.00000
      8     -21.3051      2.00000
      9     -21.3051      2.00000
     10     -21.3051      2.00000
     11     -21.3051      2.00000
     12     -21.3051      2.00000
     13     -21.3051      2.00000
     14     -21.3028      2.00000
     15     -21.3028      2.00000
     16     -21.3028      2.00000
     17     -21.3021      2.00000
     18     -21.3021      2.00000
     19     -21.3021      2.00000
     20     -21.3020      2.00000
     21     -21.3020      2.00000
     22     -21.3020      2.00000
     23     -21.3020      2.00000
     24     -21.3020      2.00000
     25     -21.3020      2.00000
     26     -21.3013      2.00000
     27     -21.3013      2.00000
     28     -21.3013      2.00000
     29     -21.2959      2.00000
     30     -21.2959      2.00000
     31     -21.2959      2.00000
     32     -21.2959      2.00000
     33     -21.2959      2.00000
     34     -21.2959      2.00000
     35     -21.2955      2.00000
     36     -21.2955      2.00000
     37     -21.2955      2.00000
     38     -21.2947      2.00000
     39     -21.2947      2.00000
     40     -21.2947      2.00000
     41     -21.2935      2.00000
     42     -21.2935      2.00000
     43     -21.2935      2.00000
     44     -21.2917      2.00000
     45     -21.2917      2.00000
     46     -21.2917      2.00000
     47     -21.2917      2.00000
     48     -21.2917      2.00000
     49     -21.2917      2.00000
     50     -21.2913      2.00000
     51     -21.2913      2.00000
     52     -21.2913      2.00000
     53     -21.2913      2.00000
     54     -21.2913      2.00000
     55     -21.2913      2.00000
     56     -21.2913      2.00000
     57     -21.2913      2.00000
     58     -21.2913      2.00000
     59     -21.2899      2.00000
     60     -21.2899      2.00000
     61     -21.2899      2.00000
     62     -21.2893      2.00000
     63     -21.2893      2.00000
     64     -21.2893      2.00000
     65     -21.2886      2.00000
     66     -21.2885      2.00000
     67     -21.2885      2.00000
     68     -21.2885      2.00000
     69     -21.2884      2.00000
     70     -21.2884      2.00000
     71     -21.2884      2.00000
     72     -21.2881      2.00000
     73     -21.2881      2.00000
     74     -21.2881      2.00000
     75     -21.2878      2.00000
     76     -21.2878      2.00000
     77     -21.2878      2.00000
     78     -21.2878      2.00000
     79     -21.2878      2.00000
     80     -21.2878      2.00000
     81     -21.2872      2.00000
     82     -21.2872      2.00000
     83     -21.2872      2.00000
     84     -21.2866      2.00000
     85     -21.2866      2.00000
     86     -21.2866      2.00000
     87     -21.2861      2.00000
     88     -21.2861      2.00000
     89     -21.2861      2.00000
     90     -21.2861      2.00000
     91     -21.2861      2.00000
     92     -21.2853      2.00000
     93     -21.2853      2.00000
     94     -21.2853      2.00000
     95     -21.2847      2.00000
     96     -21.2847      2.00000
     97     -13.7491      2.00000
     98     -13.6546      2.00000
     99     -13.6546      2.00000
    100     -13.6546      2.00000
    101     -13.5828      2.00000
    102     -13.5828      2.00000
    103     -13.5828      2.00000
    104     -13.5350      2.00000
    105     -13.5322      2.00000
    106     -13.5322      2.00000
    107     -13.5322      2.00000
    108     -13.4949      2.00000
    109     -13.4949      2.00000
    110     -13.4949      2.00000
    111     -13.4949      2.00000
    112     -13.4949      2.00000
    113     -13.4949      2.00000
    114     -13.4830      2.00000
    115     -13.4830      2.00000
    116     -13.4830      2.00000
    117     -13.4578      2.00000
    118     -13.4578      2.00000
    119     -13.4578      2.00000
    120     -13.4543      2.00000
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    123     -13.4431      2.00000
    124     -13.4431      2.00000
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    129      -2.8245      2.00000
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    144      -2.5688      2.00000
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    184      -1.6506      2.00000
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    200      -1.4903      2.00000
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    202      -1.4839      2.00000
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    216      -1.3280      2.00000
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    218      -1.3192      2.00000
    219      -1.3191      2.00000
    220      -1.2932      2.00000
    221      -1.2932      2.00000
    222      -1.2932      2.00000
    223      -1.1804      2.00000
    224      -1.1804      2.00000
    225       4.4351      0.00000
    226       5.4097      0.00000
    227       5.4097      0.00000
    228       5.4098      0.00000
    229       6.0297      0.00000
    230       6.0298      0.00000
    231       6.0298      0.00000
    232       6.0376      0.00000
    233       6.5290      0.00000
    234       6.5291      0.00000
    235       6.5292      0.00000
    236       6.5809      0.00000
    237       6.5810      0.00000
    238       6.5812      0.00000
    239       6.8157      0.00000
    240       6.8159      0.00000
    241       6.8160      0.00000
    242       6.9938      0.00000
    243       6.9939      0.00000
    244       6.9940      0.00000
    245       6.9942      0.00000
    246       6.9946      0.00000
    247       6.9951      0.00000
    248       7.3401      0.00000
    249       7.3404      0.00000
    250       7.3408      0.00000
    251       7.3413      0.00000
    252       7.3418      0.00000
    253       7.3434      0.00000
    254       7.5357      0.00000
    255       7.5367      0.00000
    256       7.5373      0.00000
    257       7.5385      0.00000
    258       7.5406      0.00000
    259       7.5444      0.00000
    260       7.8127      0.00000
    261       7.8182      0.00000
    262       7.8258      0.00000
    263       8.0484      0.00000
    264       8.0554      0.00000
    265       8.0658      0.00000
    266       8.0738      0.00000
    267       8.0981      0.00000
    268       8.2056      0.00000
    269       8.4484      0.00000
    270       8.4804      0.00000
    271       8.5381      0.00000
    272       8.6896      0.00000


----------------------------------------- Iteration    1(   7)  ---------------------------------------


    POTLOK:  cpu time    0.76: real time    0.78
    SETDIJ:  cpu time    0.49: real time    0.49
     EDDAV:  cpu time    8.03: real time    8.06
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.06: real time    1.07
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   10.36: real time   10.42

 eigenvalue-minimisations  :   656
 total energy-change (2. order) : 0.3641354E+00  (-0.2961655E+00)
 number of electron     447.9999924 magnetization
 augmentation part      113.0662167 magnetization

 Broyden mixing:
  rms(total) = 0.25982E+00    rms(broyden)= 0.25974E+00
  rms(prec ) = 0.32157E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0455
  1.4018  2.6893

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9318.36726352
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1449.87287294
  PAW double counting   =     21631.05634590   -24472.67628558
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5282.34362443
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.63159571 eV

  energy without entropy =     -216.63159571  energy(sigma->0) =     -216.63159571


--------------------------------------------------------------------------------------------------------


 E-fermi :   0.1168     XC(G=0):  -8.1485     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.5175      2.00000
      2     -21.5175      2.00000
      3     -21.5175      2.00000
      4     -21.5159      2.00000
      5     -21.5129      2.00000
      6     -21.5129      2.00000
      7     -21.5129      2.00000
      8     -21.5125      2.00000
      9     -21.5125      2.00000
     10     -21.5125      2.00000
     11     -21.5125      2.00000
     12     -21.5125      2.00000
     13     -21.5125      2.00000
     14     -21.5107      2.00000
     15     -21.5107      2.00000
     16     -21.5107      2.00000
     17     -21.5098      2.00000
     18     -21.5098      2.00000
     19     -21.5098      2.00000
     20     -21.5098      2.00000
     21     -21.5098      2.00000
     22     -21.5098      2.00000
     23     -21.5096      2.00000
     24     -21.5096      2.00000
     25     -21.5096      2.00000
     26     -21.5090      2.00000
     27     -21.5090      2.00000
     28     -21.5090      2.00000
     29     -21.5041      2.00000
     30     -21.5041      2.00000
     31     -21.5041      2.00000
     32     -21.5041      2.00000
     33     -21.5041      2.00000
     34     -21.5041      2.00000
     35     -21.5035      2.00000
     36     -21.5035      2.00000
     37     -21.5035      2.00000
     38     -21.5029      2.00000
     39     -21.5029      2.00000
     40     -21.5029      2.00000
     41     -21.5017      2.00000
     42     -21.5017      2.00000
     43     -21.5017      2.00000
     44     -21.5001      2.00000
     45     -21.5001      2.00000
     46     -21.5001      2.00000
     47     -21.5001      2.00000
     48     -21.5001      2.00000
     49     -21.5001      2.00000
     50     -21.4997      2.00000
     51     -21.4997      2.00000
     52     -21.4997      2.00000
     53     -21.4996      2.00000
     54     -21.4996      2.00000
     55     -21.4996      2.00000
     56     -21.4996      2.00000
     57     -21.4996      2.00000
     58     -21.4996      2.00000
     59     -21.4983      2.00000
     60     -21.4983      2.00000
     61     -21.4983      2.00000
     62     -21.4978      2.00000
     63     -21.4978      2.00000
     64     -21.4978      2.00000
     65     -21.4970      2.00000
     66     -21.4970      2.00000
     67     -21.4970      2.00000
     68     -21.4970      2.00000
     69     -21.4969      2.00000
     70     -21.4969      2.00000
     71     -21.4969      2.00000
     72     -21.4966      2.00000
     73     -21.4966      2.00000
     74     -21.4966      2.00000
     75     -21.4963      2.00000
     76     -21.4963      2.00000
     77     -21.4963      2.00000
     78     -21.4963      2.00000
     79     -21.4963      2.00000
     80     -21.4963      2.00000
     81     -21.4958      2.00000
     82     -21.4958      2.00000
     83     -21.4958      2.00000
     84     -21.4951      2.00000
     85     -21.4951      2.00000
     86     -21.4951      2.00000
     87     -21.4947      2.00000
     88     -21.4947      2.00000
     89     -21.4947      2.00000
     90     -21.4947      2.00000
     91     -21.4947      2.00000
     92     -21.4940      2.00000
     93     -21.4940      2.00000
     94     -21.4940      2.00000
     95     -21.4933      2.00000
     96     -21.4933      2.00000
     97     -13.4161      2.00000
     98     -13.3187      2.00000
     99     -13.3187      2.00000
    100     -13.3187      2.00000
    101     -13.2446      2.00000
    102     -13.2446      2.00000
    103     -13.2446      2.00000
    104     -13.1954      2.00000
    105     -13.1913      2.00000
    106     -13.1913      2.00000
    107     -13.1913      2.00000
    108     -13.1531      2.00000
    109     -13.1531      2.00000
    110     -13.1531      2.00000
    111     -13.1531      2.00000
    112     -13.1531      2.00000
    113     -13.1531      2.00000
    114     -13.1413      2.00000
    115     -13.1413      2.00000
    116     -13.1413      2.00000
    117     -13.1145      2.00000
    118     -13.1145      2.00000
    119     -13.1145      2.00000
    120     -13.1096      2.00000
    121     -13.1096      2.00000
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    124     -13.0985      2.00000
    125     -13.0985      2.00000
    126     -13.0985      2.00000
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    128     -13.0985      2.00000
    129      -2.5859      2.00000
    130      -2.5859      2.00000
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    132      -2.4815      2.00000
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    134      -2.3624      2.00000
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    136      -2.3312      2.00000
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    138      -2.3312      2.00000
    139      -2.3227      2.00000
    140      -2.3227      2.00000
    141      -2.3227      2.00000
    142      -2.3227      2.00000
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    145      -2.2148      2.00000
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    147      -2.2148      2.00000
    148      -2.2148      2.00000
    149      -2.2148      2.00000
    150      -2.2148      2.00000
    151      -2.1800      2.00000
    152      -2.1800      2.00000
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    154      -2.1188      2.00000
    155      -2.1188      2.00000
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    157      -1.8065      2.00000
    158      -1.8065      2.00000
    159      -1.8065      2.00000
    160      -1.8065      2.00000
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    162      -1.8065      2.00000
    163      -1.7516      2.00000
    164      -1.7516      2.00000
    165      -1.7516      2.00000
    166      -1.7338      2.00000
    167      -1.7338      2.00000
    168      -1.7338      2.00000
    169      -1.5403      2.00000
    170      -1.5403      2.00000
    171      -1.5402      2.00000
    172      -1.5003      2.00000
    173      -1.5003      2.00000
    174      -1.5003      2.00000
    175      -1.5003      2.00000
    176      -1.5003      2.00000
    177      -1.5003      2.00000
    178      -1.4021      2.00000
    179      -1.4021      2.00000
    180      -1.4021      2.00000
    181      -1.4021      2.00000
    182      -1.4021      2.00000
    183      -1.4021      2.00000
    184      -1.3713      2.00000
    185      -1.3713      2.00000
    186      -1.3713      2.00000
    187      -1.3150      2.00000
    188      -1.3150      2.00000
    189      -1.3150      2.00000
    190      -1.2725      2.00000
    191      -1.2725      2.00000
    192      -1.2725      2.00000
    193      -1.2383      2.00000
    194      -1.2383      2.00000
    195      -1.2383      2.00000
    196      -1.2197      2.00000
    197      -1.2197      2.00000
    198      -1.2197      2.00000
    199      -1.2041      2.00000
    200      -1.2041      2.00000
    201      -1.2041      2.00000
    202      -1.2017      2.00000
    203      -1.1858      2.00000
    204      -1.1858      2.00000
    205      -1.1858      2.00000
    206      -1.1858      2.00000
    207      -1.1858      2.00000
    208      -1.1858      2.00000
    209      -1.1450      2.00000
    210      -1.1450      2.00000
    211      -1.1450      2.00000
    212      -1.0602      2.00000
    213      -1.0602      2.00000
    214      -1.0371      2.00000
    215      -1.0371      2.00000
    216      -1.0371      2.00000
    217      -1.0278      2.00000
    218      -1.0278      2.00000
    219      -1.0278      2.00000
    220      -0.9995      2.00000
    221      -0.9995      2.00000
    222      -0.9995      2.00000
    223      -0.8836      2.00000
    224      -0.8836      2.00000
    225       4.5802      0.00000
    226       5.5669      0.00000
    227       5.5669      0.00000
    228       5.5669      0.00000
    229       6.1792      0.00000
    230       6.1874      0.00000
    231       6.1874      0.00000
    232       6.1874      0.00000
    233       6.6722      0.00000
    234       6.6723      0.00000
    235       6.6723      0.00000
    236       6.7187      0.00000
    237       6.7188      0.00000
    238       6.7188      0.00000
    239       6.8950      0.00000
    240       6.8951      0.00000
    241       6.8952      0.00000
    242       7.1486      0.00000
    243       7.1486      0.00000
    244       7.1487      0.00000
    245       7.1487      0.00000
    246       7.1487      0.00000
    247       7.1488      0.00000
    248       7.4804      0.00000
    249       7.4805      0.00000
    250       7.4805      0.00000
    251       7.4889      0.00000
    252       7.4889      0.00000
    253       7.4891      0.00000
    254       7.6372      0.00000
    255       7.6375      0.00000
    256       7.6377      0.00000
    257       7.6378      0.00000
    258       7.6381      0.00000
    259       7.6390      0.00000
    260       7.9523      0.00000
    261       7.9537      0.00000
    262       7.9555      0.00000
    263       8.1885      0.00000
    264       8.1906      0.00000
    265       8.1942      0.00000
    266       8.1978      0.00000
    267       8.2085      0.00000
    268       8.2576      0.00000
    269       8.5640      0.00000
    270       8.5870      0.00000
    271       8.6222      0.00000
    272       8.7339      0.00000


----------------------------------------- Iteration    1(   8)  ---------------------------------------


    POTLOK:  cpu time    0.72: real time    0.73
    SETDIJ:  cpu time    0.47: real time    0.48
     EDDAV:  cpu time    7.43: real time    7.46
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.07: real time    1.07
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    9.71: real time    9.76

 eigenvalue-minimisations  :   592
 total energy-change (2. order) :-0.1886510E+00  (-0.3237876E-01)
 number of electron     447.9999924 magnetization
 augmentation part      113.0466808 magnetization

 Broyden mixing:
  rms(total) = 0.24973E-01    rms(broyden)= 0.24969E-01
  rms(prec ) = 0.30634E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5998
  2.6912  1.3888  0.7193

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9309.17972447
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1452.79651873
  PAW double counting   =     21642.27941831   -24490.83984251
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5287.70297576
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.82024671 eV

  energy without entropy =     -216.82024671  energy(sigma->0) =     -216.82024671


--------------------------------------------------------------------------------------------------------


 E-fermi :   0.2152     XC(G=0):  -8.0661     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.6311      2.00000
      2     -21.6311      2.00000
      3     -21.6311      2.00000
      4     -21.6295      2.00000
      5     -21.6266      2.00000
      6     -21.6266      2.00000
      7     -21.6266      2.00000
      8     -21.6263      2.00000
      9     -21.6263      2.00000
     10     -21.6263      2.00000
     11     -21.6263      2.00000
     12     -21.6263      2.00000
     13     -21.6263      2.00000
     14     -21.6245      2.00000
     15     -21.6245      2.00000
     16     -21.6245      2.00000
     17     -21.6236      2.00000
     18     -21.6236      2.00000
     19     -21.6236      2.00000
     20     -21.6236      2.00000
     21     -21.6236      2.00000
     22     -21.6236      2.00000
     23     -21.6235      2.00000
     24     -21.6235      2.00000
     25     -21.6235      2.00000
     26     -21.6229      2.00000
     27     -21.6229      2.00000
     28     -21.6229      2.00000
     29     -21.6181      2.00000
     30     -21.6181      2.00000
     31     -21.6181      2.00000
     32     -21.6181      2.00000
     33     -21.6181      2.00000
     34     -21.6181      2.00000
     35     -21.6175      2.00000
     36     -21.6175      2.00000
     37     -21.6175      2.00000
     38     -21.6170      2.00000
     39     -21.6170      2.00000
     40     -21.6170      2.00000
     41     -21.6159      2.00000
     42     -21.6159      2.00000
     43     -21.6159      2.00000
     44     -21.6142      2.00000
     45     -21.6142      2.00000
     46     -21.6142      2.00000
     47     -21.6142      2.00000
     48     -21.6142      2.00000
     49     -21.6142      2.00000
     50     -21.6138      2.00000
     51     -21.6138      2.00000
     52     -21.6138      2.00000
     53     -21.6138      2.00000
     54     -21.6138      2.00000
     55     -21.6138      2.00000
     56     -21.6138      2.00000
     57     -21.6138      2.00000
     58     -21.6138      2.00000
     59     -21.6125      2.00000
     60     -21.6125      2.00000
     61     -21.6125      2.00000
     62     -21.6120      2.00000
     63     -21.6120      2.00000
     64     -21.6120      2.00000
     65     -21.6112      2.00000
     66     -21.6112      2.00000
     67     -21.6112      2.00000
     68     -21.6112      2.00000
     69     -21.6111      2.00000
     70     -21.6111      2.00000
     71     -21.6111      2.00000
     72     -21.6108      2.00000
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    218      -0.9669      2.00000
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    220      -0.9390      2.00000
    221      -0.9390      2.00000
    222      -0.9390      2.00000
    223      -0.8234      2.00000
    224      -0.8234      2.00000
    225       4.6948      0.00000
    226       5.6789      0.00000
    227       5.6789      0.00000
    228       5.6789      0.00000
    229       6.3041      0.00000
    230       6.3041      0.00000
    231       6.3041      0.00000
    232       6.3046      0.00000
    233       6.8015      0.00000
    234       6.8015      0.00000
    235       6.8016      0.00000
    236       6.8133      0.00000
    237       6.8134      0.00000
    238       6.8134      0.00000
    239       6.9598      0.00000
    240       6.9599      0.00000
    241       6.9602      0.00000
    242       7.2659      0.00000
    243       7.2659      0.00000
    244       7.2660      0.00000
    245       7.2660      0.00000
    246       7.2661      0.00000
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    248       7.6146      0.00000
    249       7.6146      0.00000
    250       7.6147      0.00000
    251       7.6153      0.00000
    252       7.6154      0.00000
    253       7.6155      0.00000
    254       7.7144      0.00000
    255       7.7146      0.00000
    256       7.7146      0.00000
    257       7.7148      0.00000
    258       7.7149      0.00000
    259       7.7152      0.00000
    260       8.0847      0.00000
    261       8.0851      0.00000
    262       8.0855      0.00000
    263       8.3026      0.00000
    264       8.3035      0.00000
    265       8.3050      0.00000
    266       8.3064      0.00000
    267       8.3110      0.00000
    268       8.3325      0.00000
    269       8.6363      0.00000
    270       8.6577      0.00000
    271       8.6844      0.00000
    272       8.7613      0.00000


----------------------------------------- Iteration    1(   9)  ---------------------------------------


    POTLOK:  cpu time    0.72: real time    0.72
    SETDIJ:  cpu time    0.47: real time    0.48
     EDDAV:  cpu time    9.03: real time    9.07
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.07: real time    1.07
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   11.30: real time   11.36

 eigenvalue-minimisations  :   768
 total energy-change (2. order) :-0.3856762E-02  (-0.1318245E-02)
 number of electron     447.9999924 magnetization
 augmentation part      113.0551671 magnetization

 Broyden mixing:
  rms(total) = 0.17176E-01    rms(broyden)= 0.17174E-01
  rms(prec ) = 0.20112E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8908
  1.1443  1.3338  2.8175  2.2678

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9309.68744335
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1452.87602787
  PAW double counting   =     21640.84812625   -24489.21857815
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5287.46859508
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.82410347 eV

  energy without entropy =     -216.82410347  energy(sigma->0) =     -216.82410347


--------------------------------------------------------------------------------------------------------


 E-fermi :   0.1796     XC(G=0):  -8.0627     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.6393      2.00000
      2     -21.6393      2.00000
      3     -21.6393      2.00000
      4     -21.6377      2.00000
      5     -21.6348      2.00000
      6     -21.6348      2.00000
      7     -21.6348      2.00000
      8     -21.6345      2.00000
      9     -21.6345      2.00000
     10     -21.6345      2.00000
     11     -21.6345      2.00000
     12     -21.6345      2.00000
     13     -21.6345      2.00000
     14     -21.6328      2.00000
     15     -21.6328      2.00000
     16     -21.6328      2.00000
     17     -21.6319      2.00000
     18     -21.6319      2.00000
     19     -21.6319      2.00000
     20     -21.6319      2.00000
     21     -21.6319      2.00000
     22     -21.6319      2.00000
     23     -21.6317      2.00000
     24     -21.6317      2.00000
     25     -21.6317      2.00000
     26     -21.6311      2.00000
     27     -21.6311      2.00000
     28     -21.6311      2.00000
     29     -21.6264      2.00000
     30     -21.6264      2.00000
     31     -21.6264      2.00000
     32     -21.6264      2.00000
     33     -21.6264      2.00000
     34     -21.6264      2.00000
     35     -21.6257      2.00000
     36     -21.6257      2.00000
     37     -21.6257      2.00000
     38     -21.6252      2.00000
     39     -21.6252      2.00000
     40     -21.6252      2.00000
     41     -21.6241      2.00000
     42     -21.6241      2.00000
     43     -21.6241      2.00000
     44     -21.6225      2.00000
     45     -21.6225      2.00000
     46     -21.6225      2.00000
     47     -21.6225      2.00000
     48     -21.6225      2.00000
     49     -21.6225      2.00000
     50     -21.6221      2.00000
     51     -21.6221      2.00000
     52     -21.6221      2.00000
     53     -21.6220      2.00000
     54     -21.6220      2.00000
     55     -21.6220      2.00000
     56     -21.6220      2.00000
     57     -21.6220      2.00000
     58     -21.6220      2.00000
     59     -21.6208      2.00000
     60     -21.6208      2.00000
     61     -21.6208      2.00000
     62     -21.6203      2.00000
     63     -21.6203      2.00000
     64     -21.6203      2.00000
     65     -21.6195      2.00000
     66     -21.6195      2.00000
     67     -21.6195      2.00000
     68     -21.6194      2.00000
     69     -21.6194      2.00000
     70     -21.6194      2.00000
     71     -21.6194      2.00000
     72     -21.6191      2.00000
     73     -21.6191      2.00000
     74     -21.6191      2.00000
     75     -21.6188      2.00000
     76     -21.6188      2.00000
     77     -21.6188      2.00000
     78     -21.6188      2.00000
     79     -21.6188      2.00000
     80     -21.6188      2.00000
     81     -21.6183      2.00000
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     83     -21.6183      2.00000
     84     -21.6177      2.00000
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     86     -21.6177      2.00000
     87     -21.6173      2.00000
     88     -21.6173      2.00000
     89     -21.6172      2.00000
     90     -21.6172      2.00000
     91     -21.6172      2.00000
     92     -21.6165      2.00000
     93     -21.6165      2.00000
     94     -21.6165      2.00000
     95     -21.6159      2.00000
     96     -21.6159      2.00000
     97     -13.3404      2.00000
     98     -13.2434      2.00000
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    100     -13.2434      2.00000
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    150      -2.1404      2.00000
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    157      -1.7347      2.00000
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    160      -1.7347      2.00000
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    168      -1.6611      2.00000
    169      -1.4712      2.00000
    170      -1.4712      2.00000
    171      -1.4712      2.00000
    172      -1.4298      2.00000
    173      -1.4298      2.00000
    174      -1.4298      2.00000
    175      -1.4298      2.00000
    176      -1.4298      2.00000
    177      -1.4298      2.00000
    178      -1.3339      2.00000
    179      -1.3339      2.00000
    180      -1.3339      2.00000
    181      -1.3339      2.00000
    182      -1.3339      2.00000
    183      -1.3339      2.00000
    184      -1.3032      2.00000
    185      -1.3032      2.00000
    186      -1.3032      2.00000
    187      -1.2462      2.00000
    188      -1.2462      2.00000
    189      -1.2462      2.00000
    190      -1.2033      2.00000
    191      -1.2033      2.00000
    192      -1.2033      2.00000
    193      -1.1704      2.00000
    194      -1.1704      2.00000
    195      -1.1704      2.00000
    196      -1.1509      2.00000
    197      -1.1509      2.00000
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    199      -1.1363      2.00000
    200      -1.1363      2.00000
    201      -1.1363      2.00000
    202      -1.1318      2.00000
    203      -1.1179      2.00000
    204      -1.1179      2.00000
    205      -1.1179      2.00000
    206      -1.1179      2.00000
    207      -1.1179      2.00000
    208      -1.1179      2.00000
    209      -1.0772      2.00000
    210      -1.0772      2.00000
    211      -1.0772      2.00000
    212      -0.9926      2.00000
    213      -0.9926      2.00000
    214      -0.9694      2.00000
    215      -0.9694      2.00000
    216      -0.9694      2.00000
    217      -0.9598      2.00000
    218      -0.9598      2.00000
    219      -0.9598      2.00000
    220      -0.9319      2.00000
    221      -0.9319      2.00000
    222      -0.9319      2.00000
    223      -0.8161      2.00000
    224      -0.8161      2.00000
    225       4.7004      0.00000
    226       5.6847      0.00000
    227       5.6847      0.00000
    228       5.6847      0.00000
    229       6.3099      0.00000
    230       6.3099      0.00000
    231       6.3099      0.00000
    232       6.3102      0.00000
    233       6.8073      0.00000
    234       6.8073      0.00000
    235       6.8073      0.00000
    236       6.8178      0.00000
    237       6.8178      0.00000
    238       6.8178      0.00000
    239       6.9614      0.00000
    240       6.9614      0.00000
    241       6.9615      0.00000
    242       7.2713      0.00000
    243       7.2713      0.00000
    244       7.2713      0.00000
    245       7.2713      0.00000
    246       7.2713      0.00000
    247       7.2714      0.00000
    248       7.6204      0.00000
    249       7.6204      0.00000
    250       7.6205      0.00000
    251       7.6209      0.00000
    252       7.6209      0.00000
    253       7.6210      0.00000
    254       7.7161      0.00000
    255       7.7162      0.00000
    256       7.7163      0.00000
    257       7.7164      0.00000
    258       7.7165      0.00000
    259       7.7167      0.00000
    260       8.0903      0.00000
    261       8.0904      0.00000
    262       8.0905      0.00000
    263       8.3051      0.00000
    264       8.3065      0.00000
    265       8.3077      0.00000
    266       8.3080      0.00000
    267       8.3104      0.00000
    268       8.3209      0.00000
    269       8.6124      0.00000
    270       8.6246      0.00000
    271       8.6655      0.00000
    272       8.7136      0.00000


----------------------------------------- Iteration    1(  10)  ---------------------------------------


    POTLOK:  cpu time    0.70: real time    0.72
    SETDIJ:  cpu time    0.48: real time    0.48
     EDDAV:  cpu time    7.73: real time    7.75
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.07: real time    1.07
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   10.00: real time   10.05

 eigenvalue-minimisations  :   624
 total energy-change (2. order) :-0.4080947E-02  (-0.6721526E-03)
 number of electron     447.9999924 magnetization
 augmentation part      113.0690780 magnetization

 Broyden mixing:
  rms(total) = 0.38122E-02    rms(broyden)= 0.38088E-02
  rms(prec ) = 0.47603E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7761
  2.9946  2.5387  1.2754  1.1454  0.9262

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9309.51218142
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1452.89325613
  PAW double counting   =     21629.96698023   -24478.32762899
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5287.67496935
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.82818442 eV

  energy without entropy =     -216.82818442  energy(sigma->0) =     -216.82818442


--------------------------------------------------------------------------------------------------------


 E-fermi :   0.1611     XC(G=0):  -8.0566     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.6498      2.00000
      2     -21.6498      2.00000
      3     -21.6498      2.00000
      4     -21.6482      2.00000
      5     -21.6453      2.00000
      6     -21.6453      2.00000
      7     -21.6453      2.00000
      8     -21.6450      2.00000
      9     -21.6450      2.00000
     10     -21.6450      2.00000
     11     -21.6450      2.00000
     12     -21.6450      2.00000
     13     -21.6450      2.00000
     14     -21.6433      2.00000
     15     -21.6433      2.00000
     16     -21.6433      2.00000
     17     -21.6424      2.00000
     18     -21.6424      2.00000
     19     -21.6424      2.00000
     20     -21.6424      2.00000
     21     -21.6424      2.00000
     22     -21.6424      2.00000
     23     -21.6422      2.00000
     24     -21.6422      2.00000
     25     -21.6422      2.00000
     26     -21.6416      2.00000
     27     -21.6416      2.00000
     28     -21.6416      2.00000
     29     -21.6369      2.00000
     30     -21.6369      2.00000
     31     -21.6369      2.00000
     32     -21.6369      2.00000
     33     -21.6369      2.00000
     34     -21.6369      2.00000
     35     -21.6362      2.00000
     36     -21.6362      2.00000
     37     -21.6362      2.00000
     38     -21.6357      2.00000
     39     -21.6357      2.00000
     40     -21.6357      2.00000
     41     -21.6346      2.00000
     42     -21.6346      2.00000
     43     -21.6346      2.00000
     44     -21.6330      2.00000
     45     -21.6330      2.00000
     46     -21.6330      2.00000
     47     -21.6330      2.00000
     48     -21.6330      2.00000
     49     -21.6330      2.00000
     50     -21.6326      2.00000
     51     -21.6326      2.00000
     52     -21.6326      2.00000
     53     -21.6325      2.00000
     54     -21.6325      2.00000
     55     -21.6325      2.00000
     56     -21.6325      2.00000
     57     -21.6325      2.00000
     58     -21.6325      2.00000
     59     -21.6313      2.00000
     60     -21.6313      2.00000
     61     -21.6313      2.00000
     62     -21.6308      2.00000
     63     -21.6308      2.00000
     64     -21.6308      2.00000
     65     -21.6300      2.00000
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     67     -21.6300      2.00000
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     69     -21.6299      2.00000
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     71     -21.6299      2.00000
     72     -21.6296      2.00000
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     75     -21.6293      2.00000
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     81     -21.6288      2.00000
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     83     -21.6288      2.00000
     84     -21.6282      2.00000
     85     -21.6282      2.00000
     86     -21.6282      2.00000
     87     -21.6278      2.00000
     88     -21.6278      2.00000
     89     -21.6278      2.00000
     90     -21.6278      2.00000
     91     -21.6278      2.00000
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     95     -21.6264      2.00000
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     97     -13.3321      2.00000
     98     -13.2350      2.00000
     99     -13.2350      2.00000
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    105     -13.1079      2.00000
    106     -13.1079      2.00000
    107     -13.1079      2.00000
    108     -13.0698      2.00000
    109     -13.0698      2.00000
    110     -13.0698      2.00000
    111     -13.0698      2.00000
    112     -13.0698      2.00000
    113     -13.0698      2.00000
    114     -13.0582      2.00000
    115     -13.0582      2.00000
    116     -13.0582      2.00000
    117     -13.0313      2.00000
    118     -13.0313      2.00000
    119     -13.0313      2.00000
    120     -13.0261      2.00000
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    122     -13.0261      2.00000
    123     -13.0152      2.00000
    124     -13.0152      2.00000
    125     -13.0152      2.00000
    126     -13.0152      2.00000
    127     -13.0152      2.00000
    128     -13.0152      2.00000
    129      -2.5050      2.00000
    130      -2.5050      2.00000
    131      -2.5050      2.00000
    132      -2.4007      2.00000
    133      -2.2793      2.00000
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    135      -2.2793      2.00000
    136      -2.2513      2.00000
    137      -2.2513      2.00000
    138      -2.2513      2.00000
    139      -2.2421      2.00000
    140      -2.2421      2.00000
    141      -2.2421      2.00000
    142      -2.2421      2.00000
    143      -2.2421      2.00000
    144      -2.2421      2.00000
    145      -2.1338      2.00000
    146      -2.1338      2.00000
    147      -2.1338      2.00000
    148      -2.1338      2.00000
    149      -2.1338      2.00000
    150      -2.1338      2.00000
    151      -2.0983      2.00000
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    154      -2.0388      2.00000
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    157      -1.7281      2.00000
    158      -1.7281      2.00000
    159      -1.7281      2.00000
    160      -1.7281      2.00000
    161      -1.7281      2.00000
    162      -1.7281      2.00000
    163      -1.6727      2.00000
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    165      -1.6727      2.00000
    166      -1.6543      2.00000
    167      -1.6543      2.00000
    168      -1.6543      2.00000
    169      -1.4647      2.00000
    170      -1.4647      2.00000
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    172      -1.4231      2.00000
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    174      -1.4231      2.00000
    175      -1.4231      2.00000
    176      -1.4231      2.00000
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    178      -1.3274      2.00000
    179      -1.3274      2.00000
    180      -1.3274      2.00000
    181      -1.3274      2.00000
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    183      -1.3274      2.00000
    184      -1.2967      2.00000
    185      -1.2967      2.00000
    186      -1.2967      2.00000
    187      -1.2396      2.00000
    188      -1.2396      2.00000
    189      -1.2396      2.00000
    190      -1.1966      2.00000
    191      -1.1966      2.00000
    192      -1.1966      2.00000
    193      -1.1638      2.00000
    194      -1.1638      2.00000
    195      -1.1638      2.00000
    196      -1.1442      2.00000
    197      -1.1442      2.00000
    198      -1.1442      2.00000
    199      -1.1296      2.00000
    200      -1.1296      2.00000
    201      -1.1296      2.00000
    202      -1.1250      2.00000
    203      -1.1112      2.00000
    204      -1.1112      2.00000
    205      -1.1112      2.00000
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    207      -1.1112      2.00000
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    209      -1.0705      2.00000
    210      -1.0705      2.00000
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    212      -0.9858      2.00000
    213      -0.9858      2.00000
    214      -0.9626      2.00000
    215      -0.9626      2.00000
    216      -0.9626      2.00000
    217      -0.9530      2.00000
    218      -0.9530      2.00000
    219      -0.9530      2.00000
    220      -0.9250      2.00000
    221      -0.9250      2.00000
    222      -0.9250      2.00000
    223      -0.8092      2.00000
    224      -0.8092      2.00000
    225       4.7107      0.00000
    226       5.6949      0.00000
    227       5.6949      0.00000
    228       5.6949      0.00000
    229       6.3205      0.00000
    230       6.3205      0.00000
    231       6.3205      0.00000
    232       6.3210      0.00000
    233       6.8184      0.00000
    234       6.8184      0.00000
    235       6.8184      0.00000
    236       6.8257      0.00000
    237       6.8257      0.00000
    238       6.8257      0.00000
    239       6.9650      0.00000
    240       6.9650      0.00000
    241       6.9650      0.00000
    242       7.2815      0.00000
    243       7.2815      0.00000
    244       7.2815      0.00000
    245       7.2815      0.00000
    246       7.2815      0.00000
    247       7.2815      0.00000
    248       7.6317      0.00000
    249       7.6317      0.00000
    250       7.6317      0.00000
    251       7.6320      0.00000
    252       7.6320      0.00000
    253       7.6320      0.00000
    254       7.7205      0.00000
    255       7.7206      0.00000
    256       7.7207      0.00000
    257       7.7208      0.00000
    258       7.7209      0.00000
    259       7.7210      0.00000
    260       8.1015      0.00000
    261       8.1016      0.00000
    262       8.1016      0.00000
    263       8.3132      0.00000
    264       8.3150      0.00000
    265       8.3161      0.00000
    266       8.3163      0.00000
    267       8.3176      0.00000
    268       8.3231      0.00000
    269       8.5860      0.00000
    270       8.6019      0.00000
    271       8.6527      0.00000
    272       8.6903      0.00000


----------------------------------------- Iteration    1(  11)  ---------------------------------------


    POTLOK:  cpu time    0.71: real time    0.72
    SETDIJ:  cpu time    0.47: real time    0.47
     EDDAV:  cpu time    8.61: real time    8.64
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.07: real time    1.07
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   10.87: real time   10.92

 eigenvalue-minimisations  :   712
 total energy-change (2. order) :-0.1043778E-03  (-0.2840770E-04)
 number of electron     447.9999924 magnetization
 augmentation part      113.0665644 magnetization

 Broyden mixing:
  rms(total) = 0.65532E-03    rms(broyden)= 0.65528E-03
  rms(prec ) = 0.81273E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8328
  3.0874  2.5131  1.9597  1.2495  1.2495  0.9373

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9309.10291405
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1452.86423594
  PAW double counting   =     21627.36571144   -24475.80992683
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5287.97175429
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.82828880 eV

  energy without entropy =     -216.82828880  energy(sigma->0) =     -216.82828880


--------------------------------------------------------------------------------------------------------


 E-fermi :   0.1458     XC(G=0):  -8.0558     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.6493      2.00000
      2     -21.6493      2.00000
      3     -21.6493      2.00000
      4     -21.6477      2.00000
      5     -21.6449      2.00000
      6     -21.6449      2.00000
      7     -21.6449      2.00000
      8     -21.6446      2.00000
      9     -21.6446      2.00000
     10     -21.6446      2.00000
     11     -21.6446      2.00000
     12     -21.6446      2.00000
     13     -21.6446      2.00000
     14     -21.6428      2.00000
     15     -21.6428      2.00000
     16     -21.6428      2.00000
     17     -21.6419      2.00000
     18     -21.6419      2.00000
     19     -21.6419      2.00000
     20     -21.6419      2.00000
     21     -21.6419      2.00000
     22     -21.6419      2.00000
     23     -21.6417      2.00000
     24     -21.6417      2.00000
     25     -21.6417      2.00000
     26     -21.6412      2.00000
     27     -21.6412      2.00000
     28     -21.6412      2.00000
     29     -21.6364      2.00000
     30     -21.6364      2.00000
     31     -21.6364      2.00000
     32     -21.6364      2.00000
     33     -21.6364      2.00000
     34     -21.6364      2.00000
     35     -21.6358      2.00000
     36     -21.6358      2.00000
     37     -21.6358      2.00000
     38     -21.6353      2.00000
     39     -21.6353      2.00000
     40     -21.6353      2.00000
     41     -21.6342      2.00000
     42     -21.6342      2.00000
     43     -21.6342      2.00000
     44     -21.6326      2.00000
     45     -21.6326      2.00000
     46     -21.6326      2.00000
     47     -21.6326      2.00000
     48     -21.6325      2.00000
     49     -21.6325      2.00000
     50     -21.6322      2.00000
     51     -21.6322      2.00000
     52     -21.6322      2.00000
     53     -21.6321      2.00000
     54     -21.6321      2.00000
     55     -21.6321      2.00000
     56     -21.6321      2.00000
     57     -21.6321      2.00000
     58     -21.6321      2.00000
     59     -21.6308      2.00000
     60     -21.6308      2.00000
     61     -21.6308      2.00000
     62     -21.6303      2.00000
     63     -21.6303      2.00000
     64     -21.6303      2.00000
     65     -21.6295      2.00000
     66     -21.6295      2.00000
     67     -21.6295      2.00000
     68     -21.6295      2.00000
     69     -21.6294      2.00000
     70     -21.6294      2.00000
     71     -21.6294      2.00000
     72     -21.6292      2.00000
     73     -21.6292      2.00000
     74     -21.6292      2.00000
     75     -21.6289      2.00000
     76     -21.6289      2.00000
     77     -21.6289      2.00000
     78     -21.6289      2.00000
     79     -21.6289      2.00000
     80     -21.6289      2.00000
     81     -21.6284      2.00000
     82     -21.6284      2.00000
     83     -21.6284      2.00000
     84     -21.6278      2.00000
     85     -21.6278      2.00000
     86     -21.6278      2.00000
     87     -21.6273      2.00000
     88     -21.6273      2.00000
     89     -21.6273      2.00000
     90     -21.6273      2.00000
     91     -21.6273      2.00000
     92     -21.6266      2.00000
     93     -21.6266      2.00000
     94     -21.6266      2.00000
     95     -21.6260      2.00000
     96     -21.6260      2.00000
     97     -13.3339      2.00000
     98     -13.2368      2.00000
     99     -13.2368      2.00000
    100     -13.2368      2.00000
    101     -13.1631      2.00000
    102     -13.1631      2.00000
    103     -13.1631      2.00000
    104     -13.1141      2.00000
    105     -13.1098      2.00000
    106     -13.1098      2.00000
    107     -13.1098      2.00000
    108     -13.0717      2.00000
    109     -13.0717      2.00000
    110     -13.0717      2.00000
    111     -13.0717      2.00000
    112     -13.0717      2.00000
    113     -13.0717      2.00000
    114     -13.0601      2.00000
    115     -13.0601      2.00000
    116     -13.0601      2.00000
    117     -13.0332      2.00000
    118     -13.0332      2.00000
    119     -13.0332      2.00000
    120     -13.0280      2.00000
    121     -13.0280      2.00000
    122     -13.0280      2.00000
    123     -13.0171      2.00000
    124     -13.0171      2.00000
    125     -13.0171      2.00000
    126     -13.0171      2.00000
    127     -13.0171      2.00000
    128     -13.0171      2.00000
    129      -2.5060      2.00000
    130      -2.5060      2.00000
    131      -2.5060      2.00000
    132      -2.4017      2.00000
    133      -2.2803      2.00000
    134      -2.2803      2.00000
    135      -2.2803      2.00000
    136      -2.2523      2.00000
    137      -2.2523      2.00000
    138      -2.2523      2.00000
    139      -2.2432      2.00000
    140      -2.2432      2.00000
    141      -2.2432      2.00000
    142      -2.2432      2.00000
    143      -2.2432      2.00000
    144      -2.2432      2.00000
    145      -2.1349      2.00000
    146      -2.1349      2.00000
    147      -2.1349      2.00000
    148      -2.1349      2.00000
    149      -2.1349      2.00000
    150      -2.1349      2.00000
    151      -2.0994      2.00000
    152      -2.0994      2.00000
    153      -2.0994      2.00000
    154      -2.0399      2.00000
    155      -2.0399      2.00000
    156      -2.0399      2.00000
    157      -1.7294      2.00000
    158      -1.7294      2.00000
    159      -1.7294      2.00000
    160      -1.7294      2.00000
    161      -1.7294      2.00000
    162      -1.7294      2.00000
    163      -1.6740      2.00000
    164      -1.6740      2.00000
    165      -1.6740      2.00000
    166      -1.6556      2.00000
    167      -1.6556      2.00000
    168      -1.6556      2.00000
    169      -1.4661      2.00000
    170      -1.4661      2.00000
    171      -1.4661      2.00000
    172      -1.4245      2.00000
    173      -1.4245      2.00000
    174      -1.4245      2.00000
    175      -1.4245      2.00000
    176      -1.4245      2.00000
    177      -1.4245      2.00000
    178      -1.3289      2.00000
    179      -1.3289      2.00000
    180      -1.3289      2.00000
    181      -1.3289      2.00000
    182      -1.3289      2.00000
    183      -1.3289      2.00000
    184      -1.2982      2.00000
    185      -1.2982      2.00000
    186      -1.2982      2.00000
    187      -1.2411      2.00000
    188      -1.2411      2.00000
    189      -1.2411      2.00000
    190      -1.1981      2.00000
    191      -1.1981      2.00000
    192      -1.1981      2.00000
    193      -1.1653      2.00000
    194      -1.1653      2.00000
    195      -1.1653      2.00000
    196      -1.1457      2.00000
    197      -1.1457      2.00000
    198      -1.1457      2.00000
    199      -1.1312      2.00000
    200      -1.1312      2.00000
    201      -1.1312      2.00000
    202      -1.1264      2.00000
    203      -1.1128      2.00000
    204      -1.1128      2.00000
    205      -1.1128      2.00000
    206      -1.1128      2.00000
    207      -1.1128      2.00000
    208      -1.1128      2.00000
    209      -1.0721      2.00000
    210      -1.0721      2.00000
    211      -1.0721      2.00000
    212      -0.9874      2.00000
    213      -0.9874      2.00000
    214      -0.9642      2.00000
    215      -0.9642      2.00000
    216      -0.9642      2.00000
    217      -0.9546      2.00000
    218      -0.9546      2.00000
    219      -0.9546      2.00000
    220      -0.9267      2.00000
    221      -0.9267      2.00000
    222      -0.9267      2.00000
    223      -0.8109      2.00000
    224      -0.8109      2.00000
    225       4.7119      0.00000
    226       5.6960      0.00000
    227       5.6960      0.00000
    228       5.6960      0.00000
    229       6.3216      0.00000
    230       6.3216      0.00000
    231       6.3216      0.00000
    232       6.3224      0.00000
    233       6.8199      0.00000
    234       6.8199      0.00000
    235       6.8199      0.00000
    236       6.8264      0.00000
    237       6.8264      0.00000
    238       6.8264      0.00000
    239       6.9654      0.00000
    240       6.9654      0.00000
    241       6.9654      0.00000
    242       7.2826      0.00000
    243       7.2826      0.00000
    244       7.2826      0.00000
    245       7.2826      0.00000
    246       7.2826      0.00000
    247       7.2826      0.00000
    248       7.6331      0.00000
    249       7.6331      0.00000
    250       7.6331      0.00000
    251       7.6336      0.00000
    252       7.6336      0.00000
    253       7.6336      0.00000
    254       7.7208      0.00000
    255       7.7209      0.00000
    256       7.7209      0.00000
    257       7.7210      0.00000
    258       7.7210      0.00000
    259       7.7211      0.00000
    260       8.1029      0.00000
    261       8.1030      0.00000
    262       8.1030      0.00000
    263       8.3126      0.00000
    264       8.3144      0.00000
    265       8.3153      0.00000
    266       8.3156      0.00000
    267       8.3165      0.00000
    268       8.3196      0.00000
    269       8.5575      0.00000
    270       8.5754      0.00000
    271       8.6297      0.00000
    272       8.6680      0.00000


----------------------------------------- Iteration    1(  12)  ---------------------------------------


    POTLOK:  cpu time    0.71: real time    0.72
    SETDIJ:  cpu time    0.48: real time    0.47
     EDDAV:  cpu time    8.60: real time    8.64
       DOS:  cpu time    0.01: real time    0.00
    CHARGE:  cpu time    1.05: real time    1.07
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   10.86: real time   10.93

 eigenvalue-minimisations  :   712
 total energy-change (2. order) :-0.6714312E-05  (-0.2507136E-05)
 number of electron     447.9999924 magnetization
 augmentation part      113.0653980 magnetization

 Broyden mixing:
  rms(total) = 0.23822E-03    rms(broyden)= 0.23806E-03
  rms(prec ) = 0.29226E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9290
  3.2638  2.9671  2.1984  1.6382  1.3249  0.9591  1.1518

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9309.18938453
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1452.87060336
  PAW double counting   =     21627.91979199   -24476.39300190
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5287.86266342
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.82829551 eV

  energy without entropy =     -216.82829551  energy(sigma->0) =     -216.82829551


--------------------------------------------------------------------------------------------------------


 E-fermi :   0.1317     XC(G=0):  -8.0555     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.6486      2.00000
      2     -21.6486      2.00000
      3     -21.6486      2.00000
      4     -21.6470      2.00000
      5     -21.6441      2.00000
      6     -21.6441      2.00000
      7     -21.6441      2.00000
      8     -21.6438      2.00000
      9     -21.6438      2.00000
     10     -21.6438      2.00000
     11     -21.6438      2.00000
     12     -21.6438      2.00000
     13     -21.6438      2.00000
     14     -21.6421      2.00000
     15     -21.6421      2.00000
     16     -21.6421      2.00000
     17     -21.6412      2.00000
     18     -21.6412      2.00000
     19     -21.6412      2.00000
     20     -21.6412      2.00000
     21     -21.6412      2.00000
     22     -21.6412      2.00000
     23     -21.6410      2.00000
     24     -21.6410      2.00000
     25     -21.6410      2.00000
     26     -21.6405      2.00000
     27     -21.6405      2.00000
     28     -21.6405      2.00000
     29     -21.6357      2.00000
     30     -21.6357      2.00000
     31     -21.6357      2.00000
     32     -21.6357      2.00000
     33     -21.6357      2.00000
     34     -21.6357      2.00000
     35     -21.6351      2.00000
     36     -21.6351      2.00000
     37     -21.6351      2.00000
     38     -21.6346      2.00000
     39     -21.6346      2.00000
     40     -21.6346      2.00000
     41     -21.6335      2.00000
     42     -21.6335      2.00000
     43     -21.6335      2.00000
     44     -21.6318      2.00000
     45     -21.6318      2.00000
     46     -21.6318      2.00000
     47     -21.6318      2.00000
     48     -21.6318      2.00000
     49     -21.6318      2.00000
     50     -21.6314      2.00000
     51     -21.6314      2.00000
     52     -21.6314      2.00000
     53     -21.6314      2.00000
     54     -21.6314      2.00000
     55     -21.6314      2.00000
     56     -21.6314      2.00000
     57     -21.6314      2.00000
     58     -21.6314      2.00000
     59     -21.6301      2.00000
     60     -21.6301      2.00000
     61     -21.6301      2.00000
     62     -21.6296      2.00000
     63     -21.6296      2.00000
     64     -21.6296      2.00000
     65     -21.6288      2.00000
     66     -21.6288      2.00000
     67     -21.6288      2.00000
     68     -21.6288      2.00000
     69     -21.6287      2.00000
     70     -21.6287      2.00000
     71     -21.6287      2.00000
     72     -21.6284      2.00000
     73     -21.6284      2.00000
     74     -21.6284      2.00000
     75     -21.6282      2.00000
     76     -21.6282      2.00000
     77     -21.6282      2.00000
     78     -21.6282      2.00000
     79     -21.6282      2.00000
     80     -21.6282      2.00000
     81     -21.6277      2.00000
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     83     -21.6277      2.00000
     84     -21.6270      2.00000
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     86     -21.6270      2.00000
     87     -21.6266      2.00000
     88     -21.6266      2.00000
     89     -21.6266      2.00000
     90     -21.6266      2.00000
     91     -21.6266      2.00000
     92     -21.6259      2.00000
     93     -21.6259      2.00000
     94     -21.6259      2.00000
     95     -21.6253      2.00000
     96     -21.6253      2.00000
     97     -13.3340      2.00000
     98     -13.2370      2.00000
     99     -13.2370      2.00000
    100     -13.2370      2.00000
    101     -13.1632      2.00000
    102     -13.1632      2.00000
    103     -13.1632      2.00000
    104     -13.1142      2.00000
    105     -13.1099      2.00000
    106     -13.1099      2.00000
    107     -13.1099      2.00000
    108     -13.0719      2.00000
    109     -13.0719      2.00000
    110     -13.0719      2.00000
    111     -13.0719      2.00000
    112     -13.0719      2.00000
    113     -13.0719      2.00000
    114     -13.0602      2.00000
    115     -13.0602      2.00000
    116     -13.0602      2.00000
    117     -13.0333      2.00000
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    119     -13.0333      2.00000
    120     -13.0282      2.00000
    121     -13.0282      2.00000
    122     -13.0282      2.00000
    123     -13.0172      2.00000
    124     -13.0172      2.00000
    125     -13.0172      2.00000
    126     -13.0172      2.00000
    127     -13.0172      2.00000
    128     -13.0172      2.00000
    129      -2.5061      2.00000
    130      -2.5061      2.00000
    131      -2.5061      2.00000
    132      -2.4017      2.00000
    133      -2.2803      2.00000
    134      -2.2803      2.00000
    135      -2.2803      2.00000
    136      -2.2524      2.00000
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    138      -2.2524      2.00000
    139      -2.2433      2.00000
    140      -2.2433      2.00000
    141      -2.2433      2.00000
    142      -2.2433      2.00000
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    145      -2.1350      2.00000
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    147      -2.1350      2.00000
    148      -2.1350      2.00000
    149      -2.1350      2.00000
    150      -2.1350      2.00000
    151      -2.0994      2.00000
    152      -2.0994      2.00000
    153      -2.0994      2.00000
    154      -2.0399      2.00000
    155      -2.0399      2.00000
    156      -2.0399      2.00000
    157      -1.7295      2.00000
    158      -1.7295      2.00000
    159      -1.7295      2.00000
    160      -1.7295      2.00000
    161      -1.7295      2.00000
    162      -1.7295      2.00000
    163      -1.6741      2.00000
    164      -1.6741      2.00000
    165      -1.6741      2.00000
    166      -1.6556      2.00000
    167      -1.6556      2.00000
    168      -1.6556      2.00000
    169      -1.4663      2.00000
    170      -1.4663      2.00000
    171      -1.4663      2.00000
    172      -1.4246      2.00000
    173      -1.4246      2.00000
    174      -1.4246      2.00000
    175      -1.4246      2.00000
    176      -1.4246      2.00000
    177      -1.4246      2.00000
    178      -1.3290      2.00000
    179      -1.3290      2.00000
    180      -1.3290      2.00000
    181      -1.3290      2.00000
    182      -1.3290      2.00000
    183      -1.3290      2.00000
    184      -1.2983      2.00000
    185      -1.2983      2.00000
    186      -1.2983      2.00000
    187      -1.2412      2.00000
    188      -1.2412      2.00000
    189      -1.2412      2.00000
    190      -1.1982      2.00000
    191      -1.1982      2.00000
    192      -1.1982      2.00000
    193      -1.1655      2.00000
    194      -1.1655      2.00000
    195      -1.1655      2.00000
    196      -1.1458      2.00000
    197      -1.1458      2.00000
    198      -1.1458      2.00000
    199      -1.1313      2.00000
    200      -1.1313      2.00000
    201      -1.1313      2.00000
    202      -1.1265      2.00000
    203      -1.1129      2.00000
    204      -1.1129      2.00000
    205      -1.1129      2.00000
    206      -1.1129      2.00000
    207      -1.1129      2.00000
    208      -1.1129      2.00000
    209      -1.0723      2.00000
    210      -1.0723      2.00000
    211      -1.0723      2.00000
    212      -0.9875      2.00000
    213      -0.9875      2.00000
    214      -0.9644      2.00000
    215      -0.9644      2.00000
    216      -0.9644      2.00000
    217      -0.9547      2.00000
    218      -0.9547      2.00000
    219      -0.9547      2.00000
    220      -0.9268      2.00000
    221      -0.9268      2.00000
    222      -0.9268      2.00000
    223      -0.8110      2.00000
    224      -0.8110      2.00000
    225       4.7123      0.00000
    226       5.6963      0.00000
    227       5.6963      0.00000
    228       5.6963      0.00000
    229       6.3220      0.00000
    230       6.3220      0.00000
    231       6.3220      0.00000
    232       6.3229      0.00000
    233       6.8204      0.00000
    234       6.8204      0.00000
    235       6.8204      0.00000
    236       6.8267      0.00000
    237       6.8267      0.00000
    238       6.8267      0.00000
    239       6.9655      0.00000
    240       6.9655      0.00000
    241       6.9655      0.00000
    242       7.2830      0.00000
    243       7.2830      0.00000
    244       7.2830      0.00000
    245       7.2830      0.00000
    246       7.2830      0.00000
    247       7.2830      0.00000
    248       7.6336      0.00000
    249       7.6336      0.00000
    250       7.6336      0.00000
    251       7.6341      0.00000
    252       7.6341      0.00000
    253       7.6341      0.00000
    254       7.7209      0.00000
    255       7.7209      0.00000
    256       7.7210      0.00000
    257       7.7210      0.00000
    258       7.7210      0.00000
    259       7.7211      0.00000
    260       8.1033      0.00000
    261       8.1034      0.00000
    262       8.1034      0.00000
    263       8.3114      0.00000
    264       8.3133      0.00000
    265       8.3140      0.00000
    266       8.3144      0.00000
    267       8.3150      0.00000
    268       8.3171      0.00000
    269       8.5319      0.00000
    270       8.5487      0.00000
    271       8.6036      0.00000
    272       8.6474      0.00000


----------------------------------------- Iteration    1(  13)  ---------------------------------------


    POTLOK:  cpu time    0.72: real time    0.72
    SETDIJ:  cpu time    0.47: real time    0.47
     EDDAV:  cpu time    8.32: real time    8.35
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.06: real time    1.07
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   10.59: real time   10.64

 eigenvalue-minimisations  :   680
 total energy-change (2. order) :-0.3906847E-05  (-0.4620716E-06)
 number of electron     447.9999924 magnetization
 augmentation part      113.0658671 magnetization

 Broyden mixing:
  rms(total) = 0.25721E-03    rms(broyden)= 0.25717E-03
  rms(prec ) = 0.31165E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8167
  3.2456  2.8663  2.4920  1.5826  1.2379  1.2379  0.9867  0.8843

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9309.23666952
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1452.87025888
  PAW double counting   =     21628.01556079   -24476.46315589
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5287.84065266
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.82829942 eV

  energy without entropy =     -216.82829942  energy(sigma->0) =     -216.82829942


--------------------------------------------------------------------------------------------------------


 E-fermi :   0.2298     XC(G=0):  -8.0554     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.6486      2.00000
      2     -21.6486      2.00000
      3     -21.6486      2.00000
      4     -21.6470      2.00000
      5     -21.6442      2.00000
      6     -21.6442      2.00000
      7     -21.6442      2.00000
      8     -21.6439      2.00000
      9     -21.6439      2.00000
     10     -21.6439      2.00000
     11     -21.6439      2.00000
     12     -21.6439      2.00000
     13     -21.6439      2.00000
     14     -21.6421      2.00000
     15     -21.6421      2.00000
     16     -21.6421      2.00000
     17     -21.6412      2.00000
     18     -21.6412      2.00000
     19     -21.6412      2.00000
     20     -21.6412      2.00000
     21     -21.6412      2.00000
     22     -21.6412      2.00000
     23     -21.6410      2.00000
     24     -21.6410      2.00000
     25     -21.6410      2.00000
     26     -21.6405      2.00000
     27     -21.6405      2.00000
     28     -21.6405      2.00000
     29     -21.6357      2.00000
     30     -21.6357      2.00000
     31     -21.6357      2.00000
     32     -21.6357      2.00000
     33     -21.6357      2.00000
     34     -21.6357      2.00000
     35     -21.6351      2.00000
     36     -21.6351      2.00000
     37     -21.6351      2.00000
     38     -21.6346      2.00000
     39     -21.6346      2.00000
     40     -21.6346      2.00000
     41     -21.6335      2.00000
     42     -21.6335      2.00000
     43     -21.6335      2.00000
     44     -21.6318      2.00000
     45     -21.6318      2.00000
     46     -21.6318      2.00000
     47     -21.6318      2.00000
     48     -21.6318      2.00000
     49     -21.6318      2.00000
     50     -21.6315      2.00000
     51     -21.6315      2.00000
     52     -21.6315      2.00000
     53     -21.6314      2.00000
     54     -21.6314      2.00000
     55     -21.6314      2.00000
     56     -21.6314      2.00000
     57     -21.6314      2.00000
     58     -21.6314      2.00000
     59     -21.6301      2.00000
     60     -21.6301      2.00000
     61     -21.6301      2.00000
     62     -21.6296      2.00000
     63     -21.6296      2.00000
     64     -21.6296      2.00000
     65     -21.6288      2.00000
     66     -21.6288      2.00000
     67     -21.6288      2.00000
     68     -21.6288      2.00000
     69     -21.6287      2.00000
     70     -21.6287      2.00000
     71     -21.6287      2.00000
     72     -21.6285      2.00000
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     74     -21.6285      2.00000
     75     -21.6282      2.00000
     76     -21.6282      2.00000
     77     -21.6282      2.00000
     78     -21.6282      2.00000
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     80     -21.6282      2.00000
     81     -21.6277      2.00000
     82     -21.6277      2.00000
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     84     -21.6271      2.00000
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     86     -21.6271      2.00000
     87     -21.6266      2.00000
     88     -21.6266      2.00000
     89     -21.6266      2.00000
     90     -21.6266      2.00000
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     92     -21.6259      2.00000
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     94     -21.6259      2.00000
     95     -21.6253      2.00000
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     97     -13.3339      2.00000
     98     -13.2368      2.00000
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    100     -13.2368      2.00000
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    187      -1.2411      2.00000
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    190      -1.1981      2.00000
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    192      -1.1981      2.00000
    193      -1.1654      2.00000
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    209      -1.0722      2.00000
    210      -1.0722      2.00000
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    212      -0.9874      2.00000
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    214      -0.9643      2.00000
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    217      -0.9546      2.00000
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    223      -0.8109      2.00000
    224      -0.8109      2.00000
    225       4.7125      0.00000
    226       5.6965      0.00000
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    229       6.3222      0.00000
    230       6.3222      0.00000
    231       6.3222      0.00000
    232       6.3230      0.00000
    233       6.8206      0.00000
    234       6.8206      0.00000
    235       6.8206      0.00000
    236       6.8269      0.00000
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    239       6.9656      0.00000
    240       6.9656      0.00000
    241       6.9656      0.00000
    242       7.2831      0.00000
    243       7.2831      0.00000
    244       7.2831      0.00000
    245       7.2831      0.00000
    246       7.2831      0.00000
    247       7.2831      0.00000
    248       7.6337      0.00000
    249       7.6337      0.00000
    250       7.6337      0.00000
    251       7.6343      0.00000
    252       7.6343      0.00000
    253       7.6343      0.00000
    254       7.7209      0.00000
    255       7.7209      0.00000
    256       7.7209      0.00000
    257       7.7209      0.00000
    258       7.7210      0.00000
    259       7.7210      0.00000
    260       8.1035      0.00000
    261       8.1035      0.00000
    262       8.1035      0.00000
    263       8.3101      0.00000
    264       8.3120      0.00000
    265       8.3126      0.00000
    266       8.3130      0.00000
    267       8.3136      0.00000
    268       8.3152      0.00000
    269       8.5081      0.00000
    270       8.5222      0.00000
    271       8.5753      0.00000
    272       8.6254      0.00000


----------------------------------------- Iteration    1(  14)  ---------------------------------------


    POTLOK:  cpu time    0.72: real time    0.72
    SETDIJ:  cpu time    0.47: real time    0.47
     EDDAV:  cpu time    7.86: real time    7.88
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.06: real time    1.07
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   10.13: real time   10.17

 eigenvalue-minimisations  :   632
 total energy-change (2. order) : 0.2903056E-05  (-0.1349019E-06)
 number of electron     447.9999924 magnetization
 augmentation part      113.0656007 magnetization

 Broyden mixing:
  rms(total) = 0.57254E-04    rms(broyden)= 0.57143E-04
  rms(prec ) = 0.75677E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8716
  3.2299  2.8565  2.4263  2.4263  1.4855  0.9851  0.9851  1.2248  1.2248

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9309.22277563
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1452.86989955
  PAW double counting   =     21628.03515024   -24476.48514040
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5287.85178927
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.82829652 eV

  energy without entropy =     -216.82829652  energy(sigma->0) =     -216.82829652


--------------------------------------------------------------------------------------------------------


 E-fermi :   0.2127     XC(G=0):  -8.0554     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.6485      2.00000
      2     -21.6485      2.00000
      3     -21.6485      2.00000
      4     -21.6469      2.00000
      5     -21.6441      2.00000
      6     -21.6441      2.00000
      7     -21.6441      2.00000
      8     -21.6438      2.00000
      9     -21.6438      2.00000
     10     -21.6438      2.00000
     11     -21.6438      2.00000
     12     -21.6438      2.00000
     13     -21.6438      2.00000
     14     -21.6420      2.00000
     15     -21.6420      2.00000
     16     -21.6420      2.00000
     17     -21.6411      2.00000
     18     -21.6411      2.00000
     19     -21.6411      2.00000
     20     -21.6411      2.00000
     21     -21.6411      2.00000
     22     -21.6411      2.00000
     23     -21.6409      2.00000
     24     -21.6409      2.00000
     25     -21.6409      2.00000
     26     -21.6404      2.00000
     27     -21.6404      2.00000
     28     -21.6404      2.00000
     29     -21.6356      2.00000
     30     -21.6356      2.00000
     31     -21.6356      2.00000
     32     -21.6356      2.00000
     33     -21.6356      2.00000
     34     -21.6356      2.00000
     35     -21.6350      2.00000
     36     -21.6350      2.00000
     37     -21.6350      2.00000
     38     -21.6345      2.00000
     39     -21.6345      2.00000
     40     -21.6345      2.00000
     41     -21.6334      2.00000
     42     -21.6334      2.00000
     43     -21.6334      2.00000
     44     -21.6317      2.00000
     45     -21.6317      2.00000
     46     -21.6317      2.00000
     47     -21.6317      2.00000
     48     -21.6317      2.00000
     49     -21.6317      2.00000
     50     -21.6314      2.00000
     51     -21.6314      2.00000
     52     -21.6314      2.00000
     53     -21.6313      2.00000
     54     -21.6313      2.00000
     55     -21.6313      2.00000
     56     -21.6313      2.00000
     57     -21.6313      2.00000
     58     -21.6313      2.00000
     59     -21.6300      2.00000
     60     -21.6300      2.00000
     61     -21.6300      2.00000
     62     -21.6295      2.00000
     63     -21.6295      2.00000
     64     -21.6295      2.00000
     65     -21.6287      2.00000
     66     -21.6287      2.00000
     67     -21.6287      2.00000
     68     -21.6287      2.00000
     69     -21.6286      2.00000
     70     -21.6286      2.00000
     71     -21.6286      2.00000
     72     -21.6284      2.00000
     73     -21.6284      2.00000
     74     -21.6284      2.00000
     75     -21.6281      2.00000
     76     -21.6281      2.00000
     77     -21.6281      2.00000
     78     -21.6281      2.00000
     79     -21.6281      2.00000
     80     -21.6281      2.00000
     81     -21.6276      2.00000
     82     -21.6276      2.00000
     83     -21.6276      2.00000
     84     -21.6270      2.00000
     85     -21.6270      2.00000
     86     -21.6270      2.00000
     87     -21.6265      2.00000
     88     -21.6265      2.00000
     89     -21.6265      2.00000
     90     -21.6265      2.00000
     91     -21.6265      2.00000
     92     -21.6258      2.00000
     93     -21.6258      2.00000
     94     -21.6258      2.00000
     95     -21.6252      2.00000
     96     -21.6252      2.00000
     97     -13.3341      2.00000
     98     -13.2370      2.00000
     99     -13.2370      2.00000
    100     -13.2370      2.00000
    101     -13.1632      2.00000
    102     -13.1632      2.00000
    103     -13.1632      2.00000
    104     -13.1143      2.00000
    105     -13.1099      2.00000
    106     -13.1099      2.00000
    107     -13.1099      2.00000
    108     -13.0719      2.00000
    109     -13.0719      2.00000
    110     -13.0719      2.00000
    111     -13.0719      2.00000
    112     -13.0719      2.00000
    113     -13.0719      2.00000
    114     -13.0602      2.00000
    115     -13.0602      2.00000
    116     -13.0602      2.00000
    117     -13.0333      2.00000
    118     -13.0333      2.00000
    119     -13.0333      2.00000
    120     -13.0282      2.00000
    121     -13.0282      2.00000
    122     -13.0282      2.00000
    123     -13.0172      2.00000
    124     -13.0172      2.00000
    125     -13.0172      2.00000
    126     -13.0172      2.00000
    127     -13.0172      2.00000
    128     -13.0172      2.00000
    129      -2.5061      2.00000
    130      -2.5061      2.00000
    131      -2.5061      2.00000
    132      -2.4017      2.00000
    133      -2.2803      2.00000
    134      -2.2803      2.00000
    135      -2.2803      2.00000
    136      -2.2524      2.00000
    137      -2.2524      2.00000
    138      -2.2524      2.00000
    139      -2.2433      2.00000
    140      -2.2433      2.00000
    141      -2.2433      2.00000
    142      -2.2433      2.00000
    143      -2.2433      2.00000
    144      -2.2433      2.00000
    145      -2.1350      2.00000
    146      -2.1350      2.00000
    147      -2.1350      2.00000
    148      -2.1350      2.00000
    149      -2.1350      2.00000
    150      -2.1350      2.00000
    151      -2.0994      2.00000
    152      -2.0994      2.00000
    153      -2.0994      2.00000
    154      -2.0400      2.00000
    155      -2.0400      2.00000
    156      -2.0400      2.00000
    157      -1.7295      2.00000
    158      -1.7295      2.00000
    159      -1.7295      2.00000
    160      -1.7295      2.00000
    161      -1.7295      2.00000
    162      -1.7295      2.00000
    163      -1.6741      2.00000
    164      -1.6741      2.00000
    165      -1.6741      2.00000
    166      -1.6556      2.00000
    167      -1.6556      2.00000
    168      -1.6556      2.00000
    169      -1.4663      2.00000
    170      -1.4663      2.00000
    171      -1.4663      2.00000
    172      -1.4247      2.00000
    173      -1.4247      2.00000
    174      -1.4247      2.00000
    175      -1.4247      2.00000
    176      -1.4247      2.00000
    177      -1.4247      2.00000
    178      -1.3291      2.00000
    179      -1.3291      2.00000
    180      -1.3291      2.00000
    181      -1.3291      2.00000
    182      -1.3291      2.00000
    183      -1.3291      2.00000
    184      -1.2984      2.00000
    185      -1.2984      2.00000
    186      -1.2984      2.00000
    187      -1.2412      2.00000
    188      -1.2412      2.00000
    189      -1.2412      2.00000
    190      -1.1982      2.00000
    191      -1.1982      2.00000
    192      -1.1982      2.00000
    193      -1.1655      2.00000
    194      -1.1655      2.00000
    195      -1.1655      2.00000
    196      -1.1458      2.00000
    197      -1.1458      2.00000
    198      -1.1458      2.00000
    199      -1.1314      2.00000
    200      -1.1314      2.00000
    201      -1.1314      2.00000
    202      -1.1266      2.00000
    203      -1.1130      2.00000
    204      -1.1130      2.00000
    205      -1.1130      2.00000
    206      -1.1130      2.00000
    207      -1.1130      2.00000
    208      -1.1130      2.00000
    209      -1.0723      2.00000
    210      -1.0723      2.00000
    211      -1.0723      2.00000
    212      -0.9876      2.00000
    213      -0.9876      2.00000
    214      -0.9644      2.00000
    215      -0.9644      2.00000
    216      -0.9644      2.00000
    217      -0.9548      2.00000
    218      -0.9548      2.00000
    219      -0.9548      2.00000
    220      -0.9269      2.00000
    221      -0.9269      2.00000
    222      -0.9269      2.00000
    223      -0.8111      2.00000
    224      -0.8111      2.00000
    225       4.7125      0.00000
    226       5.6965      0.00000
    227       5.6965      0.00000
    228       5.6965      0.00000
    229       6.3222      0.00000
    230       6.3222      0.00000
    231       6.3222      0.00000
    232       6.3230      0.00000
    233       6.8206      0.00000
    234       6.8206      0.00000
    235       6.8206      0.00000
    236       6.8268      0.00000
    237       6.8268      0.00000
    238       6.8268      0.00000
    239       6.9656      0.00000
    240       6.9656      0.00000
    241       6.9656      0.00000
    242       7.2831      0.00000
    243       7.2831      0.00000
    244       7.2831      0.00000
    245       7.2831      0.00000
    246       7.2831      0.00000
    247       7.2831      0.00000
    248       7.6337      0.00000
    249       7.6337      0.00000
    250       7.6337      0.00000
    251       7.6343      0.00000
    252       7.6343      0.00000
    253       7.6343      0.00000
    254       7.7208      0.00000
    255       7.7209      0.00000
    256       7.7209      0.00000
    257       7.7209      0.00000
    258       7.7209      0.00000
    259       7.7209      0.00000
    260       8.1034      0.00000
    261       8.1034      0.00000
    262       8.1035      0.00000
    263       8.3088      0.00000
    264       8.3106      0.00000
    265       8.3110      0.00000
    266       8.3116      0.00000
    267       8.3121      0.00000
    268       8.3135      0.00000
    269       8.4858      0.00000
    270       8.4968      0.00000
    271       8.5459      0.00000
    272       8.6008      0.00000


----------------------------------------- Iteration    1(  15)  ---------------------------------------


    POTLOK:  cpu time    0.72: real time    0.72
    SETDIJ:  cpu time    0.47: real time    0.48
     EDDAV:  cpu time    7.42: real time    7.45
       DOS:  cpu time    0.01: real time    0.00
    CHARGE:  cpu time    1.05: real time    1.07
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    9.68: real time    9.74

 eigenvalue-minimisations  :   584
 total energy-change (2. order) :-0.6624759E-06  (-0.1555245E-07)
 number of electron     447.9999924 magnetization
 augmentation part      113.0656318 magnetization

 Broyden mixing:
  rms(total) = 0.24378E-04    rms(broyden)= 0.24372E-04
  rms(prec ) = 0.31321E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8344
  3.2920  3.0987  2.6307  2.4984  1.3277  1.3277  0.9609  0.9609  1.1235  1.1235

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9309.23316814
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1452.87059763
  PAW double counting   =     21628.02385179   -24476.47523532
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5287.84070212
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.82829718 eV

  energy without entropy =     -216.82829718  energy(sigma->0) =     -216.82829718


--------------------------------------------------------------------------------------------------------


 E-fermi :   0.1940     XC(G=0):  -8.0554     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.6486      2.00000
      2     -21.6486      2.00000
      3     -21.6486      2.00000
      4     -21.6469      2.00000
      5     -21.6441      2.00000
      6     -21.6441      2.00000
      7     -21.6441      2.00000
      8     -21.6438      2.00000
      9     -21.6438      2.00000
     10     -21.6438      2.00000
     11     -21.6438      2.00000
     12     -21.6438      2.00000
     13     -21.6438      2.00000
     14     -21.6420      2.00000
     15     -21.6420      2.00000
     16     -21.6420      2.00000
     17     -21.6411      2.00000
     18     -21.6411      2.00000
     19     -21.6411      2.00000
     20     -21.6411      2.00000
     21     -21.6411      2.00000
     22     -21.6411      2.00000
     23     -21.6409      2.00000
     24     -21.6409      2.00000
     25     -21.6409      2.00000
     26     -21.6404      2.00000
     27     -21.6404      2.00000
     28     -21.6404      2.00000
     29     -21.6356      2.00000
     30     -21.6356      2.00000
     31     -21.6356      2.00000
     32     -21.6356      2.00000
     33     -21.6356      2.00000
     34     -21.6356      2.00000
     35     -21.6350      2.00000
     36     -21.6350      2.00000
     37     -21.6350      2.00000
     38     -21.6345      2.00000
     39     -21.6345      2.00000
     40     -21.6345      2.00000
     41     -21.6334      2.00000
     42     -21.6334      2.00000
     43     -21.6334      2.00000
     44     -21.6317      2.00000
     45     -21.6317      2.00000
     46     -21.6317      2.00000
     47     -21.6317      2.00000
     48     -21.6317      2.00000
     49     -21.6317      2.00000
     50     -21.6314      2.00000
     51     -21.6314      2.00000
     52     -21.6314      2.00000
     53     -21.6313      2.00000
     54     -21.6313      2.00000
     55     -21.6313      2.00000
     56     -21.6313      2.00000
     57     -21.6313      2.00000
     58     -21.6313      2.00000
     59     -21.6300      2.00000
     60     -21.6300      2.00000
     61     -21.6300      2.00000
     62     -21.6295      2.00000
     63     -21.6295      2.00000
     64     -21.6295      2.00000
     65     -21.6287      2.00000
     66     -21.6287      2.00000
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     69     -21.6286      2.00000
     70     -21.6286      2.00000
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     72     -21.6284      2.00000
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     75     -21.6281      2.00000
     76     -21.6281      2.00000
     77     -21.6281      2.00000
     78     -21.6281      2.00000
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     80     -21.6281      2.00000
     81     -21.6276      2.00000
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     84     -21.6270      2.00000
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     87     -21.6265      2.00000
     88     -21.6265      2.00000
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     90     -21.6265      2.00000
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     92     -21.6258      2.00000
     93     -21.6258      2.00000
     94     -21.6258      2.00000
     95     -21.6252      2.00000
     96     -21.6252      2.00000
     97     -13.3340      2.00000
     98     -13.2369      2.00000
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    100     -13.2369      2.00000
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    110     -13.0718      2.00000
    111     -13.0718      2.00000
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    114     -13.0602      2.00000
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    150      -2.1349      2.00000
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    169      -1.4663      2.00000
    170      -1.4663      2.00000
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    172      -1.4246      2.00000
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    180      -1.3290      2.00000
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    184      -1.2983      2.00000
    185      -1.2983      2.00000
    186      -1.2983      2.00000
    187      -1.2412      2.00000
    188      -1.2412      2.00000
    189      -1.2412      2.00000
    190      -1.1982      2.00000
    191      -1.1982      2.00000
    192      -1.1982      2.00000
    193      -1.1654      2.00000
    194      -1.1654      2.00000
    195      -1.1654      2.00000
    196      -1.1458      2.00000
    197      -1.1458      2.00000
    198      -1.1458      2.00000
    199      -1.1313      2.00000
    200      -1.1313      2.00000
    201      -1.1313      2.00000
    202      -1.1265      2.00000
    203      -1.1129      2.00000
    204      -1.1129      2.00000
    205      -1.1129      2.00000
    206      -1.1129      2.00000
    207      -1.1129      2.00000
    208      -1.1129      2.00000
    209      -1.0723      2.00000
    210      -1.0723      2.00000
    211      -1.0723      2.00000
    212      -0.9875      2.00000
    213      -0.9875      2.00000
    214      -0.9644      2.00000
    215      -0.9644      2.00000
    216      -0.9644      2.00000
    217      -0.9547      2.00000
    218      -0.9547      2.00000
    219      -0.9547      2.00000
    220      -0.9268      2.00000
    221      -0.9268      2.00000
    222      -0.9268      2.00000
    223      -0.8110      2.00000
    224      -0.8110      2.00000
    225       4.7125      0.00000
    226       5.6965      0.00000
    227       5.6965      0.00000
    228       5.6965      0.00000
    229       6.3222      0.00000
    230       6.3222      0.00000
    231       6.3222      0.00000
    232       6.3230      0.00000
    233       6.8206      0.00000
    234       6.8206      0.00000
    235       6.8206      0.00000
    236       6.8268      0.00000
    237       6.8268      0.00000
    238       6.8268      0.00000
    239       6.9656      0.00000
    240       6.9656      0.00000
    241       6.9656      0.00000
    242       7.2831      0.00000
    243       7.2831      0.00000
    244       7.2831      0.00000
    245       7.2831      0.00000
    246       7.2831      0.00000
    247       7.2831      0.00000
    248       7.6337      0.00000
    249       7.6337      0.00000
    250       7.6337      0.00000
    251       7.6343      0.00000
    252       7.6343      0.00000
    253       7.6343      0.00000
    254       7.7208      0.00000
    255       7.7208      0.00000
    256       7.7208      0.00000
    257       7.7208      0.00000
    258       7.7209      0.00000
    259       7.7209      0.00000
    260       8.1034      0.00000
    261       8.1034      0.00000
    262       8.1034      0.00000
    263       8.3077      0.00000
    264       8.3093      0.00000
    265       8.3096      0.00000
    266       8.3103      0.00000
    267       8.3108      0.00000
    268       8.3120      0.00000
    269       8.4648      0.00000
    270       8.4733      0.00000
    271       8.5168      0.00000
    272       8.5739      0.00000


----------------------------------------- Iteration    1(  16)  ---------------------------------------


    POTLOK:  cpu time    0.71: real time    0.72
    SETDIJ:  cpu time    0.48: real time    0.48
     EDDAV:  cpu time    6.46: real time    6.49
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.10: real time    1.10
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    8.77: real time    8.80

 eigenvalue-minimisations  :   480
 total energy-change (2. order) : 0.2088782E-06  (-0.1940745E-08)
 number of electron     447.9999924 magnetization
 augmentation part      113.0656222 magnetization

 Broyden mixing:
  rms(total) = 0.41186E-05    rms(broyden)= 0.41084E-05
  rms(prec ) = 0.54128E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7736
  3.2779  3.0686  2.5553  2.5553  1.5168  1.3141  1.2198  1.2198  0.9349  0.9349
  0.9126

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9309.23085296
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1452.87037698
  PAW double counting   =     21628.00896909   -24476.46024767
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5287.84290139
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.82829697 eV

  energy without entropy =     -216.82829697  energy(sigma->0) =     -216.82829697


--------------------------------------------------------------------------------------------------------


 E-fermi :   0.1745     XC(G=0):  -8.0554     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.6485      2.00000
      2     -21.6485      2.00000
      3     -21.6485      2.00000
      4     -21.6469      2.00000
      5     -21.6441      2.00000
      6     -21.6441      2.00000
      7     -21.6441      2.00000
      8     -21.6437      2.00000
      9     -21.6437      2.00000
     10     -21.6437      2.00000
     11     -21.6437      2.00000
     12     -21.6437      2.00000
     13     -21.6437      2.00000
     14     -21.6420      2.00000
     15     -21.6420      2.00000
     16     -21.6420      2.00000
     17     -21.6411      2.00000
     18     -21.6411      2.00000
     19     -21.6411      2.00000
     20     -21.6411      2.00000
     21     -21.6411      2.00000
     22     -21.6411      2.00000
     23     -21.6409      2.00000
     24     -21.6409      2.00000
     25     -21.6409      2.00000
     26     -21.6404      2.00000
     27     -21.6404      2.00000
     28     -21.6404      2.00000
     29     -21.6356      2.00000
     30     -21.6356      2.00000
     31     -21.6356      2.00000
     32     -21.6356      2.00000
     33     -21.6356      2.00000
     34     -21.6356      2.00000
     35     -21.6350      2.00000
     36     -21.6350      2.00000
     37     -21.6350      2.00000
     38     -21.6345      2.00000
     39     -21.6345      2.00000
     40     -21.6345      2.00000
     41     -21.6334      2.00000
     42     -21.6334      2.00000
     43     -21.6334      2.00000
     44     -21.6317      2.00000
     45     -21.6317      2.00000
     46     -21.6317      2.00000
     47     -21.6317      2.00000
     48     -21.6317      2.00000
     49     -21.6317      2.00000
     50     -21.6314      2.00000
     51     -21.6314      2.00000
     52     -21.6314      2.00000
     53     -21.6313      2.00000
     54     -21.6313      2.00000
     55     -21.6313      2.00000
     56     -21.6313      2.00000
     57     -21.6313      2.00000
     58     -21.6313      2.00000
     59     -21.6300      2.00000
     60     -21.6300      2.00000
     61     -21.6300      2.00000
     62     -21.6295      2.00000
     63     -21.6295      2.00000
     64     -21.6295      2.00000
     65     -21.6287      2.00000
     66     -21.6287      2.00000
     67     -21.6287      2.00000
     68     -21.6287      2.00000
     69     -21.6286      2.00000
     70     -21.6286      2.00000
     71     -21.6286      2.00000
     72     -21.6284      2.00000
     73     -21.6284      2.00000
     74     -21.6284      2.00000
     75     -21.6281      2.00000
     76     -21.6281      2.00000
     77     -21.6281      2.00000
     78     -21.6281      2.00000
     79     -21.6281      2.00000
     80     -21.6281      2.00000
     81     -21.6276      2.00000
     82     -21.6276      2.00000
     83     -21.6276      2.00000
     84     -21.6270      2.00000
     85     -21.6270      2.00000
     86     -21.6270      2.00000
     87     -21.6265      2.00000
     88     -21.6265      2.00000
     89     -21.6265      2.00000
     90     -21.6265      2.00000
     91     -21.6265      2.00000
     92     -21.6258      2.00000
     93     -21.6258      2.00000
     94     -21.6258      2.00000
     95     -21.6252      2.00000
     96     -21.6252      2.00000
     97     -13.3340      2.00000
     98     -13.2370      2.00000
     99     -13.2370      2.00000
    100     -13.2370      2.00000
    101     -13.1632      2.00000
    102     -13.1632      2.00000
    103     -13.1632      2.00000
    104     -13.1142      2.00000
    105     -13.1099      2.00000
    106     -13.1099      2.00000
    107     -13.1099      2.00000
    108     -13.0718      2.00000
    109     -13.0718      2.00000
    110     -13.0718      2.00000
    111     -13.0718      2.00000
    112     -13.0718      2.00000
    113     -13.0718      2.00000
    114     -13.0602      2.00000
    115     -13.0602      2.00000
    116     -13.0602      2.00000
    117     -13.0333      2.00000
    118     -13.0333      2.00000
    119     -13.0333      2.00000
    120     -13.0282      2.00000
    121     -13.0282      2.00000
    122     -13.0282      2.00000
    123     -13.0172      2.00000
    124     -13.0172      2.00000
    125     -13.0172      2.00000
    126     -13.0172      2.00000
    127     -13.0172      2.00000
    128     -13.0172      2.00000
    129      -2.5060      2.00000
    130      -2.5060      2.00000
    131      -2.5060      2.00000
    132      -2.4017      2.00000
    133      -2.2803      2.00000
    134      -2.2803      2.00000
    135      -2.2803      2.00000
    136      -2.2524      2.00000
    137      -2.2524      2.00000
    138      -2.2524      2.00000
    139      -2.2432      2.00000
    140      -2.2432      2.00000
    141      -2.2432      2.00000
    142      -2.2432      2.00000
    143      -2.2432      2.00000
    144      -2.2432      2.00000
    145      -2.1350      2.00000
    146      -2.1350      2.00000
    147      -2.1350      2.00000
    148      -2.1350      2.00000
    149      -2.1350      2.00000
    150      -2.1350      2.00000
    151      -2.0994      2.00000
    152      -2.0994      2.00000
    153      -2.0994      2.00000
    154      -2.0399      2.00000
    155      -2.0399      2.00000
    156      -2.0399      2.00000
    157      -1.7295      2.00000
    158      -1.7295      2.00000
    159      -1.7295      2.00000
    160      -1.7295      2.00000
    161      -1.7295      2.00000
    162      -1.7295      2.00000
    163      -1.6741      2.00000
    164      -1.6741      2.00000
    165      -1.6741      2.00000
    166      -1.6556      2.00000
    167      -1.6556      2.00000
    168      -1.6556      2.00000
    169      -1.4663      2.00000
    170      -1.4663      2.00000
    171      -1.4663      2.00000
    172      -1.4246      2.00000
    173      -1.4246      2.00000
    174      -1.4246      2.00000
    175      -1.4246      2.00000
    176      -1.4246      2.00000
    177      -1.4246      2.00000
    178      -1.3290      2.00000
    179      -1.3290      2.00000
    180      -1.3290      2.00000
    181      -1.3290      2.00000
    182      -1.3290      2.00000
    183      -1.3290      2.00000
    184      -1.2983      2.00000
    185      -1.2983      2.00000
    186      -1.2983      2.00000
    187      -1.2412      2.00000
    188      -1.2412      2.00000
    189      -1.2412      2.00000
    190      -1.1982      2.00000
    191      -1.1982      2.00000
    192      -1.1982      2.00000
    193      -1.1655      2.00000
    194      -1.1655      2.00000
    195      -1.1655      2.00000
    196      -1.1458      2.00000
    197      -1.1458      2.00000
    198      -1.1458      2.00000
    199      -1.1313      2.00000
    200      -1.1313      2.00000
    201      -1.1313      2.00000
    202      -1.1265      2.00000
    203      -1.1129      2.00000
    204      -1.1129      2.00000
    205      -1.1129      2.00000
    206      -1.1129      2.00000
    207      -1.1129      2.00000
    208      -1.1129      2.00000
    209      -1.0723      2.00000
    210      -1.0723      2.00000
    211      -1.0723      2.00000
    212      -0.9875      2.00000
    213      -0.9875      2.00000
    214      -0.9644      2.00000
    215      -0.9644      2.00000
    216      -0.9644      2.00000
    217      -0.9547      2.00000
    218      -0.9547      2.00000
    219      -0.9547      2.00000
    220      -0.9268      2.00000
    221      -0.9268      2.00000
    222      -0.9268      2.00000
    223      -0.8110      2.00000
    224      -0.8110      2.00000
    225       4.7125      0.00000
    226       5.6965      0.00000
    227       5.6965      0.00000
    228       5.6965      0.00000
    229       6.3222      0.00000
    230       6.3222      0.00000
    231       6.3222      0.00000
    232       6.3230      0.00000
    233       6.8206      0.00000
    234       6.8206      0.00000
    235       6.8206      0.00000
    236       6.8268      0.00000
    237       6.8268      0.00000
    238       6.8268      0.00000
    239       6.9656      0.00000
    240       6.9656      0.00000
    241       6.9656      0.00000
    242       7.2831      0.00000
    243       7.2831      0.00000
    244       7.2831      0.00000
    245       7.2831      0.00000
    246       7.2831      0.00000
    247       7.2831      0.00000
    248       7.6337      0.00000
    249       7.6337      0.00000
    250       7.6337      0.00000
    251       7.6343      0.00000
    252       7.6343      0.00000
    253       7.6343      0.00000
    254       7.7208      0.00000
    255       7.7208      0.00000
    256       7.7208      0.00000
    257       7.7208      0.00000
    258       7.7208      0.00000
    259       7.7208      0.00000
    260       8.1033      0.00000
    261       8.1034      0.00000
    262       8.1034      0.00000
    263       8.3066      0.00000
    264       8.3080      0.00000
    265       8.3083      0.00000
    266       8.3091      0.00000
    267       8.3096      0.00000
    268       8.3106      0.00000
    269       8.4458      0.00000
    270       8.4522      0.00000
    271       8.4896      0.00000
    272       8.5459      0.00000


----------------------------------------- Iteration    1(  17)  ---------------------------------------


    POTLOK:  cpu time    0.73: real time    0.74
    SETDIJ:  cpu time    0.48: real time    0.48
     EDDAV:  cpu time    5.89: real time    5.91
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.08: real time    1.07
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    8.19: real time    8.23

 eigenvalue-minimisations  :   416
 total energy-change (2. order) :-0.2987508E-07  ( 0.7843926E-10)
 number of electron     447.9999924 magnetization
 augmentation part      113.0656126 magnetization

 Broyden mixing:
  rms(total) = 0.16247E-05    rms(broyden)= 0.16237E-05
  rms(prec ) = 0.19056E-05
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8062
  3.2715  2.7624  2.7624  2.7193  2.4265  1.5257  1.2279  1.2279  0.9918  0.9417
  0.9417  0.8751

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9309.23151712
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1452.87043466
  PAW double counting   =     21628.01129743   -24476.46288576
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5287.84198519
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.82829700 eV

  energy without entropy =     -216.82829700  energy(sigma->0) =     -216.82829700


--------------------------------------------------------------------------------------------------------


 E-fermi :   0.1560     XC(G=0):  -8.0554     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.6485      2.00000
      2     -21.6485      2.00000
      3     -21.6485      2.00000
      4     -21.6469      2.00000
      5     -21.6441      2.00000
      6     -21.6441      2.00000
      7     -21.6441      2.00000
      8     -21.6437      2.00000
      9     -21.6437      2.00000
     10     -21.6437      2.00000
     11     -21.6437      2.00000
     12     -21.6437      2.00000
     13     -21.6437      2.00000
     14     -21.6420      2.00000
     15     -21.6420      2.00000
     16     -21.6420      2.00000
     17     -21.6411      2.00000
     18     -21.6411      2.00000
     19     -21.6411      2.00000
     20     -21.6411      2.00000
     21     -21.6411      2.00000
     22     -21.6411      2.00000
     23     -21.6409      2.00000
     24     -21.6409      2.00000
     25     -21.6409      2.00000
     26     -21.6404      2.00000
     27     -21.6404      2.00000
     28     -21.6404      2.00000
     29     -21.6356      2.00000
     30     -21.6356      2.00000
     31     -21.6356      2.00000
     32     -21.6356      2.00000
     33     -21.6356      2.00000
     34     -21.6356      2.00000
     35     -21.6350      2.00000
     36     -21.6350      2.00000
     37     -21.6350      2.00000
     38     -21.6345      2.00000
     39     -21.6345      2.00000
     40     -21.6345      2.00000
     41     -21.6334      2.00000
     42     -21.6334      2.00000
     43     -21.6334      2.00000
     44     -21.6317      2.00000
     45     -21.6317      2.00000
     46     -21.6317      2.00000
     47     -21.6317      2.00000
     48     -21.6317      2.00000
     49     -21.6317      2.00000
     50     -21.6314      2.00000
     51     -21.6314      2.00000
     52     -21.6314      2.00000
     53     -21.6313      2.00000
     54     -21.6313      2.00000
     55     -21.6313      2.00000
     56     -21.6313      2.00000
     57     -21.6313      2.00000
     58     -21.6313      2.00000
     59     -21.6300      2.00000
     60     -21.6300      2.00000
     61     -21.6300      2.00000
     62     -21.6295      2.00000
     63     -21.6295      2.00000
     64     -21.6295      2.00000
     65     -21.6287      2.00000
     66     -21.6287      2.00000
     67     -21.6287      2.00000
     68     -21.6287      2.00000
     69     -21.6286      2.00000
     70     -21.6286      2.00000
     71     -21.6286      2.00000
     72     -21.6284      2.00000
     73     -21.6284      2.00000
     74     -21.6284      2.00000
     75     -21.6281      2.00000
     76     -21.6281      2.00000
     77     -21.6281      2.00000
     78     -21.6281      2.00000
     79     -21.6281      2.00000
     80     -21.6281      2.00000
     81     -21.6276      2.00000
     82     -21.6276      2.00000
     83     -21.6276      2.00000
     84     -21.6270      2.00000
     85     -21.6270      2.00000
     86     -21.6270      2.00000
     87     -21.6265      2.00000
     88     -21.6265      2.00000
     89     -21.6265      2.00000
     90     -21.6265      2.00000
     91     -21.6265      2.00000
     92     -21.6258      2.00000
     93     -21.6258      2.00000
     94     -21.6258      2.00000
     95     -21.6252      2.00000
     96     -21.6252      2.00000
     97     -13.3340      2.00000
     98     -13.2370      2.00000
     99     -13.2370      2.00000
    100     -13.2370      2.00000
    101     -13.1632      2.00000
    102     -13.1632      2.00000
    103     -13.1632      2.00000
    104     -13.1142      2.00000
    105     -13.1099      2.00000
    106     -13.1099      2.00000
    107     -13.1099      2.00000
    108     -13.0718      2.00000
    109     -13.0718      2.00000
    110     -13.0718      2.00000
    111     -13.0718      2.00000
    112     -13.0718      2.00000
    113     -13.0718      2.00000
    114     -13.0602      2.00000
    115     -13.0602      2.00000
    116     -13.0602      2.00000
    117     -13.0333      2.00000
    118     -13.0333      2.00000
    119     -13.0333      2.00000
    120     -13.0282      2.00000
    121     -13.0282      2.00000
    122     -13.0282      2.00000
    123     -13.0172      2.00000
    124     -13.0172      2.00000
    125     -13.0172      2.00000
    126     -13.0172      2.00000
    127     -13.0172      2.00000
    128     -13.0172      2.00000
    129      -2.5060      2.00000
    130      -2.5060      2.00000
    131      -2.5060      2.00000
    132      -2.4017      2.00000
    133      -2.2803      2.00000
    134      -2.2803      2.00000
    135      -2.2803      2.00000
    136      -2.2524      2.00000
    137      -2.2524      2.00000
    138      -2.2524      2.00000
    139      -2.2432      2.00000
    140      -2.2432      2.00000
    141      -2.2432      2.00000
    142      -2.2432      2.00000
    143      -2.2432      2.00000
    144      -2.2432      2.00000
    145      -2.1350      2.00000
    146      -2.1350      2.00000
    147      -2.1350      2.00000
    148      -2.1350      2.00000
    149      -2.1350      2.00000
    150      -2.1350      2.00000
    151      -2.0994      2.00000
    152      -2.0994      2.00000
    153      -2.0994      2.00000
    154      -2.0399      2.00000
    155      -2.0399      2.00000
    156      -2.0399      2.00000
    157      -1.7295      2.00000
    158      -1.7295      2.00000
    159      -1.7295      2.00000
    160      -1.7295      2.00000
    161      -1.7295      2.00000
    162      -1.7295      2.00000
    163      -1.6741      2.00000
    164      -1.6741      2.00000
    165      -1.6741      2.00000
    166      -1.6556      2.00000
    167      -1.6556      2.00000
    168      -1.6556      2.00000
    169      -1.4663      2.00000
    170      -1.4663      2.00000
    171      -1.4663      2.00000
    172      -1.4246      2.00000
    173      -1.4246      2.00000
    174      -1.4246      2.00000
    175      -1.4246      2.00000
    176      -1.4246      2.00000
    177      -1.4246      2.00000
    178      -1.3290      2.00000
    179      -1.3290      2.00000
    180      -1.3290      2.00000
    181      -1.3290      2.00000
    182      -1.3290      2.00000
    183      -1.3290      2.00000
    184      -1.2983      2.00000
    185      -1.2983      2.00000
    186      -1.2983      2.00000
    187      -1.2412      2.00000
    188      -1.2412      2.00000
    189      -1.2412      2.00000
    190      -1.1982      2.00000
    191      -1.1982      2.00000
    192      -1.1982      2.00000
    193      -1.1655      2.00000
    194      -1.1655      2.00000
    195      -1.1655      2.00000
    196      -1.1458      2.00000
    197      -1.1458      2.00000
    198      -1.1458      2.00000
    199      -1.1313      2.00000
    200      -1.1313      2.00000
    201      -1.1313      2.00000
    202      -1.1265      2.00000
    203      -1.1129      2.00000
    204      -1.1129      2.00000
    205      -1.1129      2.00000
    206      -1.1129      2.00000
    207      -1.1129      2.00000
    208      -1.1129      2.00000
    209      -1.0723      2.00000
    210      -1.0723      2.00000
    211      -1.0723      2.00000
    212      -0.9875      2.00000
    213      -0.9875      2.00000
    214      -0.9644      2.00000
    215      -0.9644      2.00000
    216      -0.9644      2.00000
    217      -0.9547      2.00000
    218      -0.9547      2.00000
    219      -0.9547      2.00000
    220      -0.9268      2.00000
    221      -0.9268      2.00000
    222      -0.9268      2.00000
    223      -0.8110      2.00000
    224      -0.8110      2.00000
    225       4.7125      0.00000
    226       5.6965      0.00000
    227       5.6965      0.00000
    228       5.6965      0.00000
    229       6.3222      0.00000
    230       6.3222      0.00000
    231       6.3222      0.00000
    232       6.3230      0.00000
    233       6.8206      0.00000
    234       6.8206      0.00000
    235       6.8206      0.00000
    236       6.8268      0.00000
    237       6.8268      0.00000
    238       6.8268      0.00000
    239       6.9656      0.00000
    240       6.9656      0.00000
    241       6.9656      0.00000
    242       7.2831      0.00000
    243       7.2831      0.00000
    244       7.2831      0.00000
    245       7.2831      0.00000
    246       7.2831      0.00000
    247       7.2831      0.00000
    248       7.6337      0.00000
    249       7.6337      0.00000
    250       7.6337      0.00000
    251       7.6343      0.00000
    252       7.6343      0.00000
    253       7.6343      0.00000
    254       7.7208      0.00000
    255       7.7208      0.00000
    256       7.7208      0.00000
    257       7.7208      0.00000
    258       7.7208      0.00000
    259       7.7208      0.00000
    260       8.1033      0.00000
    261       8.1033      0.00000
    262       8.1033      0.00000
    263       8.3057      0.00000
    264       8.3069      0.00000
    265       8.3072      0.00000
    266       8.3081      0.00000
    267       8.3084      0.00000
    268       8.3094      0.00000
    269       8.4287      0.00000
    270       8.4337      0.00000
    271       8.4650      0.00000
    272       8.5181      0.00000


----------------------------------------- Iteration    1(  18)  ---------------------------------------


    POTLOK:  cpu time    0.71: real time    0.72
    SETDIJ:  cpu time    0.48: real time    0.48
     EDDAV:  cpu time    5.74: real time    5.77
       DOS:  cpu time    0.01: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    6.94: real time    6.98

 eigenvalue-minimisations  :   400
 total energy-change (2. order) :-0.5638867E-08  ( 0.2252840E-09)
 number of electron     447.9999924 magnetization
 augmentation part      113.0656126 magnetization

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       668.86209959
  Ewald energy   TEWEN  =    -22516.54734859
  -1/2 Hartree   DENC   =     -9309.23118947
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =      1452.87041272
  PAW double counting   =     21628.01134498   -24476.46262861
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =     -5287.84259561
  atomic energy  EATOM  =     37623.51160799
  ---------------------------------------------------
  free energy    TOTEN  =      -216.82829701 eV

  energy without entropy =     -216.82829700  energy(sigma->0) =     -216.82829700


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.9254  0.9406
  (the norm of the test charge is              1.0000)
       1 -55.2512       2 -55.2512       3 -55.2512       4 -55.2512       5 -55.2512
       6 -55.2512       7 -55.2512       8 -55.2512       9 -55.2512      10 -55.2512
      11 -55.2512      12 -55.2512      13 -55.2512      14 -55.2512      15 -55.2512
      16 -55.2512      17 -55.2512      18 -55.2512      19 -55.2512      20 -55.2512
      21 -55.2512      22 -55.2512      23 -55.2512      24 -55.2512      25 -55.2512
      26 -55.2512      27 -55.2512      28 -55.2512      29 -55.2512      30 -55.2512
      31 -55.2512      32 -55.2512      33 -93.5723      34 -93.5723      35 -93.5723
      36 -93.5723      37 -93.5723      38 -93.5723      39 -93.5723      40 -93.5723
      41 -93.5723      42 -93.5723      43 -93.5723      44 -93.5723      45 -93.5723
      46 -93.5723      47 -93.5723      48 -93.5723      49 -93.5723      50 -93.5723
      51 -93.5723      52 -93.5723      53 -93.5723      54 -93.5723      55 -93.5723
      56 -93.5723      57 -93.5723      58 -93.5723      59 -93.5723      60 -93.5723
      61 -93.5723      62 -93.5723      63 -93.5723      64 -93.5723



 E-fermi :   0.1379     XC(G=0):  -8.0554     alpha+bet : -7.9814


 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1     -21.6485      2.00000
      2     -21.6485      2.00000
      3     -21.6485      2.00000
      4     -21.6469      2.00000
      5     -21.6441      2.00000
      6     -21.6441      2.00000
      7     -21.6441      2.00000
      8     -21.6438      2.00000
      9     -21.6438      2.00000
     10     -21.6438      2.00000
     11     -21.6438      2.00000
     12     -21.6438      2.00000
     13     -21.6438      2.00000
     14     -21.6420      2.00000
     15     -21.6420      2.00000
     16     -21.6420      2.00000
     17     -21.6411      2.00000
     18     -21.6411      2.00000
     19     -21.6411      2.00000
     20     -21.6411      2.00000
     21     -21.6411      2.00000
     22     -21.6411      2.00000
     23     -21.6409      2.00000
     24     -21.6409      2.00000
     25     -21.6409      2.00000
     26     -21.6404      2.00000
     27     -21.6404      2.00000
     28     -21.6404      2.00000
     29     -21.6356      2.00000
     30     -21.6356      2.00000
     31     -21.6356      2.00000
     32     -21.6356      2.00000
     33     -21.6356      2.00000
     34     -21.6356      2.00000
     35     -21.6350      2.00000
     36     -21.6350      2.00000
     37     -21.6350      2.00000
     38     -21.6345      2.00000
     39     -21.6345      2.00000
     40     -21.6345      2.00000
     41     -21.6334      2.00000
     42     -21.6334      2.00000
     43     -21.6334      2.00000
     44     -21.6317      2.00000
     45     -21.6317      2.00000
     46     -21.6317      2.00000
     47     -21.6317      2.00000
     48     -21.6317      2.00000
     49     -21.6317      2.00000
     50     -21.6314      2.00000
     51     -21.6314      2.00000
     52     -21.6314      2.00000
     53     -21.6313      2.00000
     54     -21.6313      2.00000
     55     -21.6313      2.00000
     56     -21.6313      2.00000
     57     -21.6313      2.00000
     58     -21.6313      2.00000
     59     -21.6300      2.00000
     60     -21.6300      2.00000
     61     -21.6300      2.00000
     62     -21.6295      2.00000
     63     -21.6295      2.00000
     64     -21.6295      2.00000
     65     -21.6287      2.00000
     66     -21.6287      2.00000
     67     -21.6287      2.00000
     68     -21.6287      2.00000
     69     -21.6286      2.00000
     70     -21.6286      2.00000
     71     -21.6286      2.00000
     72     -21.6284      2.00000
     73     -21.6284      2.00000
     74     -21.6284      2.00000
     75     -21.6281      2.00000
     76     -21.6281      2.00000
     77     -21.6281      2.00000
     78     -21.6281      2.00000
     79     -21.6281      2.00000
     80     -21.6281      2.00000
     81     -21.6276      2.00000
     82     -21.6276      2.00000
     83     -21.6276      2.00000
     84     -21.6270      2.00000
     85     -21.6270      2.00000
     86     -21.6270      2.00000
     87     -21.6265      2.00000
     88     -21.6265      2.00000
     89     -21.6265      2.00000
     90     -21.6265      2.00000
     91     -21.6265      2.00000
     92     -21.6258      2.00000
     93     -21.6258      2.00000
     94     -21.6258      2.00000
     95     -21.6252      2.00000
     96     -21.6252      2.00000
     97     -13.3340      2.00000
     98     -13.2370      2.00000
     99     -13.2370      2.00000
    100     -13.2370      2.00000
    101     -13.1632      2.00000
    102     -13.1632      2.00000
    103     -13.1632      2.00000
    104     -13.1142      2.00000
    105     -13.1099      2.00000
    106     -13.1099      2.00000
    107     -13.1099      2.00000
    108     -13.0718      2.00000
    109     -13.0718      2.00000
    110     -13.0718      2.00000
    111     -13.0718      2.00000
    112     -13.0718      2.00000
    113     -13.0718      2.00000
    114     -13.0602      2.00000
    115     -13.0602      2.00000
    116     -13.0602      2.00000
    117     -13.0333      2.00000
    118     -13.0333      2.00000
    119     -13.0333      2.00000
    120     -13.0281      2.00000
    121     -13.0281      2.00000
    122     -13.0281      2.00000
    123     -13.0172      2.00000
    124     -13.0172      2.00000
    125     -13.0172      2.00000
    126     -13.0172      2.00000
    127     -13.0172      2.00000
    128     -13.0172      2.00000
    129      -2.5060      2.00000
    130      -2.5060      2.00000
    131      -2.5060      2.00000
    132      -2.4017      2.00000
    133      -2.2803      2.00000
    134      -2.2803      2.00000
    135      -2.2803      2.00000
    136      -2.2524      2.00000
    137      -2.2524      2.00000
    138      -2.2524      2.00000
    139      -2.2432      2.00000
    140      -2.2432      2.00000
    141      -2.2432      2.00000
    142      -2.2432      2.00000
    143      -2.2432      2.00000
    144      -2.2432      2.00000
    145      -2.1350      2.00000
    146      -2.1350      2.00000
    147      -2.1350      2.00000
    148      -2.1350      2.00000
    149      -2.1350      2.00000
    150      -2.1350      2.00000
    151      -2.0994      2.00000
    152      -2.0994      2.00000
    153      -2.0994      2.00000
    154      -2.0399      2.00000
    155      -2.0399      2.00000
    156      -2.0399      2.00000
    157      -1.7295      2.00000
    158      -1.7295      2.00000
    159      -1.7295      2.00000
    160      -1.7295      2.00000
    161      -1.7295      2.00000
    162      -1.7295      2.00000
    163      -1.6741      2.00000
    164      -1.6741      2.00000
    165      -1.6741      2.00000
    166      -1.6556      2.00000
    167      -1.6556      2.00000
    168      -1.6556      2.00000
    169      -1.4663      2.00000
    170      -1.4663      2.00000
    171      -1.4663      2.00000
    172      -1.4246      2.00000
    173      -1.4246      2.00000
    174      -1.4246      2.00000
    175      -1.4246      2.00000
    176      -1.4246      2.00000
    177      -1.4246      2.00000
    178      -1.3290      2.00000
    179      -1.3290      2.00000
    180      -1.3290      2.00000
    181      -1.3290      2.00000
    182      -1.3290      2.00000
    183      -1.3290      2.00000
    184      -1.2983      2.00000
    185      -1.2983      2.00000
    186      -1.2983      2.00000
    187      -1.2412      2.00000
    188      -1.2412      2.00000
    189      -1.2412      2.00000
    190      -1.1982      2.00000
    191      -1.1982      2.00000
    192      -1.1982      2.00000
    193      -1.1655      2.00000
    194      -1.1655      2.00000
    195      -1.1655      2.00000
    196      -1.1458      2.00000
    197      -1.1458      2.00000
    198      -1.1458      2.00000
    199      -1.1313      2.00000
    200      -1.1313      2.00000
    201      -1.1313      2.00000
    202      -1.1265      2.00000
    203      -1.1129      2.00000
    204      -1.1129      2.00000
    205      -1.1129      2.00000
    206      -1.1129      2.00000
    207      -1.1129      2.00000
    208      -1.1129      2.00000
    209      -1.0723      2.00000
    210      -1.0723      2.00000
    211      -1.0723      2.00000
    212      -0.9875      2.00000
    213      -0.9875      2.00000
    214      -0.9644      2.00000
    215      -0.9644      2.00000
    216      -0.9644      2.00000
    217      -0.9547      2.00000
    218      -0.9547      2.00000
    219      -0.9547      2.00000
    220      -0.9268      2.00000
    221      -0.9268      2.00000
    222      -0.9268      2.00000
    223      -0.8110      2.00000
    224      -0.8110      2.00000
    225       4.7125      0.00000
    226       5.6965      0.00000
    227       5.6965      0.00000
    228       5.6965      0.00000
    229       6.3222      0.00000
    230       6.3222      0.00000
    231       6.3222      0.00000
    232       6.3230      0.00000
    233       6.8206      0.00000
    234       6.8206      0.00000
    235       6.8206      0.00000
    236       6.8268      0.00000
    237       6.8268      0.00000
    238       6.8268      0.00000
    239       6.9656      0.00000
    240       6.9656      0.00000
    241       6.9656      0.00000
    242       7.2831      0.00000
    243       7.2831      0.00000
    244       7.2831      0.00000
    245       7.2831      0.00000
    246       7.2831      0.00000
    247       7.2831      0.00000
    248       7.6337      0.00000
    249       7.6337      0.00000
    250       7.6337      0.00000
    251       7.6343      0.00000
    252       7.6343      0.00000
    253       7.6343      0.00000
    254       7.7208      0.00000
    255       7.7208      0.00000
    256       7.7208      0.00000
    257       7.7208      0.00000
    258       7.7208      0.00000
    259       7.7208      0.00000
    260       8.1033      0.00000
    261       8.1033      0.00000
    262       8.1033      0.00000
    263       8.3049      0.00000
    264       8.3059      0.00000
    265       8.3062      0.00000
    266       8.3071      0.00000
    267       8.3074      0.00000
    268       8.3084      0.00000
    269       8.4139      0.00000
    270       8.4180      0.00000
    271       8.4439      0.00000
    272       8.4922      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line

 pseudopotential strength for first ion, spin component:           1
-24.951   0.000   0.000  14.285   0.000   0.000   0.000   0.000
  0.000 -24.951   0.000   0.000  14.285   0.000   0.000   0.000
  0.000   0.000 -24.951   0.000   0.000  14.285   0.000   0.000
 14.285   0.000   0.000  -3.410   0.000   0.000   0.000   0.000
  0.000  14.285   0.000   0.000  -3.410   0.000   0.000   0.000
  0.000   0.000  14.285   0.000   0.000  -3.410   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   1.435  -0.015
  0.000   0.000   0.000   0.000   0.000   0.000  -0.015  -0.015
 total augmentation occupancy for first ion, spin component:           1
  1.999   0.000   0.000   0.005   0.000   0.000   0.000   0.000
  0.000   1.999   0.000   0.000   0.005   0.000   0.000   0.000
  0.000   0.000   1.999   0.000   0.000   0.005   0.000   0.000
  0.005   0.000   0.000   0.023   0.000   0.000   0.000   0.000
  0.000   0.005   0.000   0.000   0.023   0.000   0.000   0.000
  0.000   0.000   0.005   0.000   0.000   0.023   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.403   0.144
  0.000   0.000   0.000   0.000   0.000   0.000   0.144   0.051


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.04: real time    1.05
    FORLOC:  cpu time    0.07: real time    0.08
    FORNL :  cpu time    4.49: real time    4.51
    STRESS:  cpu time    8.21: real time    8.24
    FORCOR:  cpu time    0.69: real time    0.69
    FORHAR:  cpu time    0.24: real time    0.24
    MIXING:  cpu time    0.01: real time    0.01

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   668.86210   668.86210   668.86210
  Ewald   -7505.56085 -7505.56085 -7505.56085     0.00000     0.00000     0.00000
  Hartree  3103.07717  3103.07717  3103.07717     0.00000     0.00000     0.00000
  E(xc)   -2058.48039 -2058.48039 -2058.48039     0.00000     0.00000     0.00000
  Local   -2830.54000 -2830.54000 -2830.54000     0.00000     0.00000     0.00000
  n-local  2061.85035  2061.85035  2061.85035    -0.11575    -0.11576    -0.11576
  augment  1252.31449  1252.31447  1252.31360    -0.00009    -0.00040    -0.00041
  Kinetic  5306.95312  5306.95311  5306.95311    -0.26033    -0.26033    -0.26033
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -1.52431    -1.52431    -1.52431     0.00000     0.00000     0.00000
  in kB      -1.65686    -1.65686    -1.65686     0.00000     0.00000     0.00000
  external pressure =       -1.66 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      300.00
  volume of cell :     1473.99
      direct lattice vectors                 reciprocal lattice vectors
    11.380602952  0.000000000  0.000000000     0.087868807  0.000000000  0.000000000
     0.000000000 11.380602952  0.000000000     0.000000000  0.087868807  0.000000000
     0.000000000  0.000000000 11.380602952     0.000000000  0.000000000  0.087868807

  length of vectors
    11.380602952 11.380602952 11.380602952     0.087868807  0.087868807  0.087868807


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.416E-14 0.145E-13 0.106E-13   -.808E-13 -.646E-14 -.163E-13   -.248E-23 -.126E-22 -.331E-23   -.104E-12 0.111E-12 -.355E-13
   0.474E-12 0.726E-14 0.914E-11   -.772E-13 -.202E-14 -.132E-13   0.786E-23 0.558E-23 0.884E-23   0.547E-13 0.904E-13 -.899E-13
   -.192E-14 0.481E-12 0.201E-14   -.845E-13 -.466E-14 -.611E-14   0.151E-22 0.435E-23 0.282E-23   -.355E-13 -.105E-12 -.420E-13
   0.479E-12 0.462E-12 0.162E-11   -.789E-13 -.127E-13 -.178E-14   -.393E-23 0.246E-23 -.414E-24   -.853E-14 -.806E-13 -.674E-13
   0.301E-14 0.217E-13 0.474E-12   -.836E-13 -.635E-14 0.333E-15   0.108E-22 0.256E-23 -.248E-23   0.279E-13 0.620E-13 0.600E-13
   0.475E-12 0.564E-14 -.165E-11   -.789E-13 -.171E-13 -.111E-15   -.403E-23 -.964E-23 -.910E-23   -.701E-13 0.511E-13 0.111E-12
   0.850E-14 0.474E-12 0.487E-12   -.864E-13 -.744E-14 -.899E-14   0.103E-24 -.476E-23 -.987E-23   0.612E-13 -.663E-13 0.476E-13
   0.469E-12 0.606E-12 0.274E-11   -.805E-13 -.127E-13 -.266E-13   -.114E-22 0.207E-24 0.127E-22   -.108E-12 -.392E-13 0.847E-13
   0.229E-14 0.249E-12 0.251E-12   -.820E-13 -.444E-14 0.678E-15   -.393E-23 0.290E-23 -.703E-23   -.510E-13 -.827E-13 -.290E-12
   0.475E-12 0.398E-12 0.174E-11   -.795E-13 -.124E-13 0.234E-15   0.987E-23 -.512E-23 0.145E-23   -.105E-14 -.326E-13 -.260E-12
   0.152E-14 0.724E-12 0.244E-12   -.856E-13 -.533E-14 -.229E-13   0.858E-23 -.980E-23 0.103E-22   -.183E-13 0.862E-13 -.242E-12
   0.476E-12 -.476E-12 0.127E-11   -.813E-13 -.888E-15 -.263E-13   0.124E-23 0.288E-23 0.723E-23   -.253E-13 0.436E-13 -.222E-12
   -.519E-14 0.259E-12 0.710E-12   -.856E-13 -.722E-14 -.151E-13   0.105E-22 -.207E-24 -.269E-23   -.397E-14 -.864E-13 0.299E-12
   0.483E-12 0.194E-11 -.117E-11   -.813E-13 -.124E-13 -.119E-13   -.879E-24 0.439E-23 -.115E-22   -.465E-13 -.563E-13 0.272E-12
   0.924E-14 0.712E-12 0.717E-12   -.874E-13 -.522E-14 -.484E-14   -.352E-23 0.618E-23 0.124E-23   0.148E-13 0.909E-13 0.267E-12
   0.468E-12 -.375E-11 -.241E-11   -.689E-13 -.178E-14 0.137E-13   -.271E-24 -.677E-23 -.610E-23   -.600E-13 0.680E-13 0.230E-12
   0.233E-12 0.174E-13 -.824E-12   0.533E-14 -.197E-13 0.108E-16   -.227E-23 -.107E-22 0.874E-23   -.523E-13 0.455E-13 -.216E-12
   0.720E-12 0.187E-13 -.624E-11   0.355E-14 0.158E-14 0.108E-16   -.238E-23 -.310E-23 0.719E-23   0.345E-13 0.683E-13 -.333E-12
   0.233E-12 0.474E-12 -.809E-12   0.366E-14 0.139E-14 -.195E-13   0.155E-23 0.103E-23 0.207E-24   -.923E-14 -.313E-13 -.176E-12
   0.720E-12 0.378E-11 -.190E-11   -.111E-15 -.571E-14 -.266E-13   0.414E-24 0.434E-23 -.309E-23   -.201E-13 -.661E-13 -.280E-12
   0.242E-12 0.155E-13 -.644E-12   0.366E-14 -.181E-13 -.162E-13   0.827E-24 0.827E-23 -.160E-23   -.178E-14 0.103E-12 0.225E-12
   0.712E-12 0.313E-13 0.837E-11   0.777E-15 0.324E-14 -.126E-13   0.266E-23 -.724E-23 -.517E-23   -.171E-13 0.115E-12 0.345E-12
   0.232E-12 0.583E-12 -.572E-12   0.200E-14 -.383E-14 -.175E-15   0.292E-23 -.491E-23 0.600E-23   0.254E-13 -.924E-13 0.202E-12
   0.722E-12 0.814E-11 0.584E-11   0.122E-13 -.109E-13 0.140E-13   -.517E-25 0.165E-23 -.248E-23   -.503E-13 -.113E-12 0.290E-12
   0.234E-12 0.243E-12 0.814E-12   0.300E-14 -.400E-14 -.228E-13   -.620E-23 -.439E-23 0.641E-23   -.279E-13 -.562E-13 -.111E-12
   0.719E-12 -.159E-12 0.496E-11   0.233E-14 -.253E-13 -.157E-13   0.848E-23 0.372E-23 0.881E-23   0.227E-14 -.134E-12 -.672E-13
   0.232E-12 0.122E-11 0.589E-12   0.122E-14 -.173E-13 0.110E-13   0.130E-22 -.372E-23 -.352E-23   -.182E-13 0.623E-13 -.495E-13
   0.722E-12 0.510E-11 0.419E-11   0.130E-13 -.102E-13 0.744E-14   -.124E-22 0.000E+00 0.352E-23   -.148E-13 0.132E-12 -.283E-14
   0.229E-12 0.257E-12 0.127E-11   0.122E-14 -.588E-14 0.855E-14   -.827E-24 0.315E-23 -.233E-23   0.257E-14 -.265E-13 0.128E-12
   0.724E-12 0.747E-13 0.173E-11   -.122E-14 -.588E-14 0.144E-14   -.724E-23 -.455E-23 -.269E-23   -.250E-13 -.507E-13 0.714E-13
   0.244E-12 0.715E-12 0.140E-11   -.555E-15 -.120E-13 -.145E-13   -.612E-23 -.105E-22 0.817E-24   0.146E-13 0.290E-13 0.703E-13
   0.710E-12 0.597E-11 0.190E-12   0.112E-13 0.222E-14 -.288E-13   0.516E-23 0.538E-23 -.767E-24   -.405E-13 0.733E-13 0.440E-13
   0.573E-13 -.215E-14 0.112E-12   -.666E-14 0.174E-13 0.166E-13   0.646E-25 -.672E-24 -.527E-24   -.139E-13 -.360E-13 -.222E-12
   0.218E-12 -.171E-11 -.307E-11   -.400E-14 0.322E-14 0.130E-13   -.640E-24 0.727E-24 0.362E-24   0.270E-13 -.932E-13 -.335E-12
   0.668E-13 0.342E-12 0.323E-12   -.311E-14 0.110E-13 0.213E-14   -.228E-24 0.743E-24 -.698E-24   -.111E-14 0.297E-13 -.190E-12
   0.208E-12 0.160E-11 -.102E-10   -.400E-14 0.181E-13 -.121E-13   0.944E-24 0.893E-24 -.427E-24   0.113E-13 0.940E-13 -.300E-12
   0.653E-13 0.248E-12 0.141E-12   -.688E-14 0.109E-13 -.472E-14   0.659E-24 0.336E-24 -.136E-24   0.205E-13 -.580E-13 0.226E-12
   0.210E-12 -.341E-11 0.534E-11   -.377E-14 0.180E-13 -.117E-14   0.136E-24 -.892E-24 0.956E-24   -.128E-13 -.964E-13 0.334E-12
   0.742E-13 0.629E-13 -.131E-13   0.222E-15 0.104E-13 0.239E-13   0.116E-24 0.323E-25 -.297E-24   0.300E-13 0.583E-13 0.190E-12
   0.201E-12 0.635E-12 0.387E-11   -.377E-14 0.175E-13 0.239E-13   -.827E-24 0.911E-24 0.795E-24   -.184E-13 0.979E-13 0.287E-12
   0.601E-13 -.385E-14 0.127E-11   -.666E-14 0.107E-13 -.400E-14   -.517E-25 -.620E-24 0.439E-24   -.237E-13 0.817E-13 -.101E-12
   0.215E-12 0.209E-14 0.379E-11   -.400E-14 0.107E-13 -.147E-13   0.317E-24 -.944E-24 0.310E-24   0.318E-13 0.105E-12 -.516E-13
   0.587E-13 0.147E-12 0.328E-11   -.333E-14 0.180E-13 0.104E-13   0.258E-25 -.233E-24 0.103E-24   0.163E-13 -.850E-13 -.713E-13
   0.216E-12 0.675E-11 0.397E-11   -.222E-15 0.180E-13 0.246E-13   -.775E-25 -.388E-25 -.142E-24   -.740E-14 -.103E-12 -.446E-13
   0.754E-13 -.647E-14 0.343E-11   -.311E-14 0.101E-13 0.182E-13   -.129E-24 0.514E-24 0.446E-24   0.669E-14 0.464E-13 0.985E-13
   0.200E-12 0.157E-14 -.446E-12   -.400E-14 0.101E-13 0.147E-13   0.847E-24 -.801E-24 -.523E-24   0.669E-14 0.628E-13 0.459E-13
   0.590E-13 0.138E-12 0.140E-11   0.222E-15 0.115E-13 0.180E-13   -.397E-24 0.388E-24 -.265E-24   0.406E-13 -.449E-13 0.693E-13
   0.216E-12 0.229E-11 0.861E-12   -.222E-15 0.435E-14 -.104E-13   -.116E-24 0.129E-25 0.840E-25   -.284E-13 -.630E-13 0.415E-13
   -.682E-14 0.646E-13 0.205E-13   0.798E-13 0.222E-14 0.444E-15   0.207E-24 -.155E-24 0.388E-25   -.569E-13 -.109E-12 -.758E-13
   0.144E-12 0.548E-11 0.357E-11   0.834E-13 0.733E-14 -.222E-15   0.452E-25 0.207E-24 0.407E-24   0.469E-13 -.729E-13 -.111E-12
   0.315E-14 0.163E-12 0.225E-13   0.807E-13 0.500E-14 0.298E-13   0.562E-24 0.297E-24 -.310E-24   -.369E-13 0.100E-12 -.287E-13
   0.135E-12 -.122E-11 0.357E-11   0.878E-13 0.140E-13 0.282E-13   0.207E-24 -.372E-24 -.517E-25   0.332E-13 0.697E-13 -.585E-13
   0.184E-14 0.718E-13 0.131E-12   0.792E-13 0.101E-13 0.280E-13   0.879E-24 -.716E-24 0.840E-25   0.497E-13 -.631E-13 0.716E-13
   0.135E-12 0.831E-12 -.326E-12   0.858E-13 -.688E-14 0.144E-13   -.155E-24 0.220E-24 -.101E-23   -.613E-13 -.331E-13 0.115E-12
   0.124E-13 -.354E-13 0.367E-13   0.800E-13 0.121E-13 0.129E-13   0.168E-24 0.102E-23 0.168E-24   0.608E-13 0.574E-13 0.338E-13
   0.125E-12 -.226E-11 -.455E-12   0.903E-13 0.140E-13 -.140E-13   -.711E-25 -.304E-24 0.122E-23   -.782E-13 0.228E-13 0.642E-13
   0.281E-14 0.462E-14 0.830E-13   0.800E-13 -.182E-14 0.276E-13   0.646E-24 0.517E-24 -.905E-25   -.461E-13 0.509E-13 -.294E-12
   0.135E-12 -.461E-14 0.461E-11   0.836E-13 0.717E-14 0.282E-13   0.388E-24 -.427E-24 0.969E-25   0.339E-13 0.348E-13 -.259E-12
   0.256E-14 0.103E-12 0.860E-13   0.847E-13 0.167E-13 -.160E-13   0.116E-24 0.653E-24 -.129E-24   0.149E-13 -.573E-13 -.242E-12
   0.135E-12 0.152E-11 -.105E-12   0.878E-13 0.773E-14 -.144E-13   -.103E-24 0.775E-25 -.459E-24   -.264E-13 -.367E-13 -.222E-12
   0.308E-14 0.551E-14 0.192E-12   0.827E-13 0.107E-13 -.134E-13   -.139E-24 -.129E-24 0.866E-24   0.402E-14 0.956E-13 0.290E-12
   0.135E-12 -.159E-14 -.198E-11   0.863E-13 0.642E-14 0.110E-15   0.162E-26 -.517E-24 -.775E-24   -.130E-13 0.889E-13 0.268E-12
   0.264E-14 0.839E-14 -.100E-13   0.838E-13 0.176E-14 0.301E-13   0.305E-24 0.116E-23 -.271E-24   0.405E-13 -.103E-12 0.248E-12
   0.135E-12 -.302E-12 -.274E-11   0.905E-13 0.698E-14 0.285E-13   0.394E-24 0.580E-24 0.775E-25   -.528E-13 -.931E-13 0.223E-12
 -----------------------------------------------------------------------------------------------
   0.148E-10 0.401E-10 0.533E-10   0.522E-13 0.639E-13 0.350E-13   0.352E-22 -.366E-22 0.126E-22   -.574E-12 0.599E-13 0.262E-12


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
      5.69030      0.00000      0.00000         0.000000      0.000000      0.000000
      0.00000      5.69030      0.00000         0.000000      0.000000      0.000000
      5.69030      5.69030      0.00000         0.000000      0.000000      0.000000
      0.00000      0.00000      5.69030         0.000000      0.000000      0.000000
      5.69030      0.00000      5.69030         0.000000      0.000000      0.000000
      0.00000      5.69030      5.69030         0.000000      0.000000      0.000000
      5.69030      5.69030      5.69030         0.000000      0.000000      0.000000
      0.00000      2.84515      2.84515         0.000000      0.000000      0.000000
      5.69030      2.84515      2.84515         0.000000      0.000000      0.000000
      0.00000      8.53545      2.84515         0.000000      0.000000      0.000000
      5.69030      8.53545      2.84515         0.000000      0.000000      0.000000
      0.00000      2.84515      8.53545         0.000000      0.000000      0.000000
      5.69030      2.84515      8.53545         0.000000      0.000000      0.000000
      0.00000      8.53545      8.53545         0.000000      0.000000      0.000000
      5.69030      8.53545      8.53545         0.000000      0.000000      0.000000
      2.84515      0.00000      2.84515         0.000000      0.000000      0.000000
      8.53545      0.00000      2.84515         0.000000      0.000000      0.000000
      2.84515      5.69030      2.84515         0.000000      0.000000      0.000000
      8.53545      5.69030      2.84515         0.000000      0.000000      0.000000
      2.84515      0.00000      8.53545         0.000000      0.000000      0.000000
      8.53545      0.00000      8.53545         0.000000      0.000000      0.000000
      2.84515      5.69030      8.53545         0.000000      0.000000      0.000000
      8.53545      5.69030      8.53545         0.000000      0.000000      0.000000
      2.84515      2.84515      0.00000         0.000000      0.000000      0.000000
      8.53545      2.84515      0.00000         0.000000      0.000000      0.000000
      2.84515      8.53545      0.00000         0.000000      0.000000      0.000000
      8.53545      8.53545      0.00000         0.000000      0.000000      0.000000
      2.84515      2.84515      5.69030         0.000000      0.000000      0.000000
      8.53545      2.84515      5.69030         0.000000      0.000000      0.000000
      2.84515      8.53545      5.69030         0.000000      0.000000      0.000000
      8.53545      8.53545      5.69030         0.000000      0.000000      0.000000
      2.84515      2.84515      2.84515         0.000000      0.000000      0.000000
      8.53545      2.84515      2.84515         0.000000      0.000000      0.000000
      2.84515      8.53545      2.84515         0.000000      0.000000      0.000000
      8.53545      8.53545      2.84515         0.000000      0.000000      0.000000
      2.84515      2.84515      8.53545         0.000000      0.000000      0.000000
      8.53545      2.84515      8.53545         0.000000      0.000000      0.000000
      2.84515      8.53545      8.53545         0.000000      0.000000      0.000000
      8.53545      8.53545      8.53545         0.000000      0.000000      0.000000
      2.84515      0.00000      0.00000         0.000000      0.000000      0.000000
      8.53545      0.00000      0.00000         0.000000      0.000000      0.000000
      2.84515      5.69030      0.00000         0.000000      0.000000      0.000000
      8.53545      5.69030      0.00000         0.000000      0.000000      0.000000
      2.84515      0.00000      5.69030         0.000000      0.000000      0.000000
      8.53545      0.00000      5.69030         0.000000      0.000000      0.000000
      2.84515      5.69030      5.69030         0.000000      0.000000      0.000000
      8.53545      5.69030      5.69030         0.000000      0.000000      0.000000
      0.00000      2.84515      0.00000         0.000000      0.000000      0.000000
      5.69030      2.84515      0.00000         0.000000      0.000000      0.000000
      0.00000      8.53545      0.00000         0.000000      0.000000      0.000000
      5.69030      8.53545      0.00000         0.000000      0.000000      0.000000
      0.00000      2.84515      5.69030         0.000000      0.000000      0.000000
      5.69030      2.84515      5.69030         0.000000      0.000000      0.000000
      0.00000      8.53545      5.69030         0.000000      0.000000      0.000000
      5.69030      8.53545      5.69030         0.000000      0.000000      0.000000
      0.00000      0.00000      2.84515         0.000000      0.000000      0.000000
      5.69030      0.00000      2.84515         0.000000      0.000000      0.000000
      0.00000      5.69030      2.84515         0.000000      0.000000      0.000000
      5.69030      5.69030      2.84515         0.000000      0.000000      0.000000
      0.00000      0.00000      8.53545         0.000000      0.000000      0.000000
      5.69030      0.00000      8.53545         0.000000      0.000000      0.000000
      0.00000      5.69030      8.53545         0.000000      0.000000      0.000000
      5.69030      5.69030      8.53545         0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000      0.000000


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -216.828297 eV

  energy  without entropy=     -216.828297  energy(sigma->0) =     -216.828297



--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    1.20: real time    1.21


--------------------------------------------------------------------------------------------------------



 Found     2 degrees of freedom:
  ----------------------------------------------

     directions for atom     1:  x
     directions for atom    33:  x
 Linear response reoptimize wavefunctions
 Linear response:
   Degrees of freedom DOF   =            2
 Linear response progress:
  Degree of freedom:   1/  2
  LATTYP: Found a simple cubic cell.
 ALAT       =    11.3806029524

  Lattice vectors:

 A1 = (  11.3806029524,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,  11.3806029524,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  11.3806029524)
 Subroutine PRICEL returns following result:

  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.6903014762

  Lattice vectors:

 A1 = (   2.8451507381,   2.8451507381,   0.0000000000)
 A2 = (   2.8451507381,   0.0000000000,  -2.8451507381)
 A3 = (   0.0000000000,   2.8451507381,  -2.8451507381)

  32 primitive cells build up your supercell.


Analysis of symmetry for initial positions (statically):

 Routine SETGRP: Setting up the symmetry group for a
 simple cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry O_h .

Analysis of symmetry for dynamics (positions and initial velocities):

 Subroutine DYNSYM returns: Found  8 space group operations
 (whereof  8 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also     1 'primitive' translations


The dynamic configuration has the point symmetry C_4v.


----------------------------------------- Iteration    4(   1)  ---------------------------------------


   POT+DIJ:  cpu time    2.59: real time    2.60
    HAMIL1:  cpu time    1.04: real time    1.04
    LRDIAG:  cpu time    1.58: real time    1.59
    LRDIIS:  cpu time    3.54: real time    3.55
    LRDIAG:  cpu time    1.50: real time    1.51
    --------------------------------------------
      LOOP:  cpu time   10.25: real time   10.29

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00555251
  -V(xc)+E(xc)   XCENC  =         0.00733194
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.13119705
  ---------------------------------------------------
  free energy    TOTEN  =        -0.12941762 eV

  energy without entropy =       -0.12941762


----------------------------------------- Iteration    4(   2)  ---------------------------------------


   POT+DIJ:  cpu time    2.57: real time    2.59
    HAMIL1:  cpu time    1.06: real time    1.05
    LRDIAG:  cpu time    1.58: real time    1.59
    LRDIIS:  cpu time    4.74: real time    4.75
    LRDIAG:  cpu time    1.51: real time    1.51
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   13.43: real time   13.48

 Broyden mixing:
  rms(total) = 0.20125E+00    rms(broyden)= 0.19943E+00
  rms(prec ) = 0.23736E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00555251
  -V(xc)+E(xc)   XCENC  =         0.00733194
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.13884245
  ---------------------------------------------------
  free energy    TOTEN  =        -0.13706303 eV

  energy without entropy =       -0.13706303


----------------------------------------- Iteration    4(   3)  ---------------------------------------


   POT+DIJ:  cpu time    2.58: real time    2.59
    HAMIL1:  cpu time    1.03: real time    1.04
    LRDIAG:  cpu time    1.60: real time    1.59
    LRDIIS:  cpu time    5.59: real time    5.62
    LRDIAG:  cpu time    1.48: real time    1.48
    MIXING:  cpu time    0.02: real time    0.02
    --------------------------------------------
      LOOP:  cpu time   14.23: real time   14.29

 Broyden mixing:
  rms(total) = 0.55673E-01    rms(broyden)= 0.55204E-01
  rms(prec ) = 0.84582E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9194
  0.9194

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00550204
  -V(xc)+E(xc)   XCENC  =         0.00724351
  PAW double counting   =         0.00000328       -0.00000379
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.13909469
  ---------------------------------------------------
  free energy    TOTEN  =        -0.13735373 eV

  energy without entropy =       -0.13735373


----------------------------------------- Iteration    4(   4)  ---------------------------------------


   POT+DIJ:  cpu time    2.58: real time    2.59
    HAMIL1:  cpu time    1.03: real time    1.03
    LRDIAG:  cpu time    1.60: real time    1.60
    LRDIIS:  cpu time    6.46: real time    6.49
    LRDIAG:  cpu time    1.48: real time    1.48
    MIXING:  cpu time    0.01: real time    0.02
    --------------------------------------------
      LOOP:  cpu time   15.12: real time   15.17

 Broyden mixing:
  rms(total) = 0.37611E-01    rms(broyden)= 0.37559E-01
  rms(prec ) = 0.58123E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4179
  1.1598  1.6760

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00549998
  -V(xc)+E(xc)   XCENC  =         0.00724932
  PAW double counting   =         0.00000265       -0.00000309
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.13909415
  ---------------------------------------------------
  free energy    TOTEN  =        -0.13734526 eV

  energy without entropy =       -0.13734526


----------------------------------------- Iteration    4(   5)  ---------------------------------------


   POT+DIJ:  cpu time    2.58: real time    2.59
    HAMIL1:  cpu time    1.03: real time    1.04
    LRDIAG:  cpu time    1.60: real time    1.59
    LRDIIS:  cpu time    6.48: real time    6.51
    LRDIAG:  cpu time    1.48: real time    1.48
    MIXING:  cpu time    0.02: real time    0.02
    --------------------------------------------
      LOOP:  cpu time   15.12: real time   15.19

 Broyden mixing:
  rms(total) = 0.11702E-01    rms(broyden)= 0.11697E-01
  rms(prec ) = 0.25448E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6803
  2.7581  1.1414  1.1414

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00547922
  -V(xc)+E(xc)   XCENC  =         0.00726014
  PAW double counting   =         0.00000418       -0.00000430
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.13911481
  ---------------------------------------------------
  free energy    TOTEN  =        -0.13733401 eV

  energy without entropy =       -0.13733401


----------------------------------------- Iteration    4(   6)  ---------------------------------------


   POT+DIJ:  cpu time    2.59: real time    2.59
    HAMIL1:  cpu time    1.01: real time    1.02
    LRDIAG:  cpu time    1.60: real time    1.60
    LRDIIS:  cpu time    6.66: real time    6.70
    LRDIAG:  cpu time    1.47: real time    1.48
    MIXING:  cpu time    0.02: real time    0.02
    --------------------------------------------
      LOOP:  cpu time   15.31: real time   15.37

 Broyden mixing:
  rms(total) = 0.93143E-02    rms(broyden)= 0.93132E-02
  rms(prec ) = 0.12244E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0253
  3.6590  2.2875  1.0154  1.1394

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00545122
  -V(xc)+E(xc)   XCENC  =         0.00726255
  PAW double counting   =         0.00000776       -0.00000770
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.13914457
  ---------------------------------------------------
  free energy    TOTEN  =        -0.13733318 eV

  energy without entropy =       -0.13733318


----------------------------------------- Iteration    4(   7)  ---------------------------------------


   POT+DIJ:  cpu time    2.58: real time    2.60
    HAMIL1:  cpu time    1.04: real time    1.04
    LRDIAG:  cpu time    1.58: real time    1.60
    LRDIIS:  cpu time    7.35: real time    7.38
    LRDIAG:  cpu time    1.48: real time    1.48
    MIXING:  cpu time    0.02: real time    0.02
    --------------------------------------------
      LOOP:  cpu time   15.99: real time   16.05

 Broyden mixing:
  rms(total) = 0.29271E-02    rms(broyden)= 0.29237E-02
  rms(prec ) = 0.40393E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9972
  3.6253  2.1252  2.1252  0.9619  1.1487

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00543271
  -V(xc)+E(xc)   XCENC  =         0.00725258
  PAW double counting   =         0.00000860       -0.00000869
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.13916516
  ---------------------------------------------------
  free energy    TOTEN  =        -0.13734538 eV

  energy without entropy =       -0.13734538


----------------------------------------- Iteration    4(   8)  ---------------------------------------


   POT+DIJ:  cpu time    2.57: real time    2.59
    HAMIL1:  cpu time    1.05: real time    1.05
    LRDIAG:  cpu time    1.60: real time    1.60
    LRDIIS:  cpu time    7.41: real time    7.44
    LRDIAG:  cpu time    1.47: real time    1.48
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   16.05: real time   16.12

 Broyden mixing:
  rms(total) = 0.89927E-03    rms(broyden)= 0.89876E-03
  rms(prec ) = 0.15566E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9116
  4.0629  2.5342  0.9758  1.1140  1.3912  1.3912

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00543488
  -V(xc)+E(xc)   XCENC  =         0.00725413
  PAW double counting   =         0.00000873       -0.00000879
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.13916159
  ---------------------------------------------------
  free energy    TOTEN  =        -0.13734241 eV

  energy without entropy =       -0.13734241


----------------------------------------- Iteration    4(   9)  ---------------------------------------


   POT+DIJ:  cpu time    2.58: real time    2.59
    HAMIL1:  cpu time    1.04: real time    1.05
    LRDIAG:  cpu time    1.59: real time    1.60
    LRDIIS:  cpu time    7.58: real time    7.61
    LRDIAG:  cpu time    1.48: real time    1.48
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   16.22: real time   16.29

 Broyden mixing:
  rms(total) = 0.71749E-03    rms(broyden)= 0.71693E-03
  rms(prec ) = 0.10654E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8051
  4.2119  2.5310  1.6105  0.9168  1.2280  1.0689  1.0689

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00543345
  -V(xc)+E(xc)   XCENC  =         0.00725353
  PAW double counting   =         0.00000870       -0.00000878
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.13916287
  ---------------------------------------------------
  free energy    TOTEN  =        -0.13734286 eV

  energy without entropy =       -0.13734286


----------------------------------------- Iteration    4(  10)  ---------------------------------------


   POT+DIJ:  cpu time    2.57: real time    2.58
    HAMIL1:  cpu time    1.02: real time    1.02
    LRDIAG:  cpu time    1.59: real time    1.60
    LRDIIS:  cpu time    7.35: real time    7.38
    LRDIAG:  cpu time    1.47: real time    1.48
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   15.96: real time   16.02

 Broyden mixing:
  rms(total) = 0.39850E-03    rms(broyden)= 0.39794E-03
  rms(prec ) = 0.58343E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8789
  4.3390  3.0133  2.3751  1.4635  1.1842  0.9747  0.9747  0.7064

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00543456
  -V(xc)+E(xc)   XCENC  =         0.00725426
  PAW double counting   =         0.00000865       -0.00000871
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.13916198
  ---------------------------------------------------
  free energy    TOTEN  =        -0.13734235 eV

  energy without entropy =       -0.13734235


----------------------------------------- Iteration    4(  11)  ---------------------------------------


   POT+DIJ:  cpu time    2.57: real time    2.59
    HAMIL1:  cpu time    1.03: real time    1.03
    LRDIAG:  cpu time    1.58: real time    1.59
    LRDIIS:  cpu time    7.63: real time    7.66
    LRDIAG:  cpu time    1.48: real time    1.48
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   16.23: real time   16.30

 Broyden mixing:
  rms(total) = 0.30304E-03    rms(broyden)= 0.30291E-03
  rms(prec ) = 0.34899E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7756
  4.3998  3.1193  2.3896  1.4155  1.2166  0.9698  0.9698  0.7502  0.7502

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.00543489
  -V(xc)+E(xc)   XCENC  =         0.00725451
  PAW double counting   =         0.00000859       -0.00000866
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.13916161
  ---------------------------------------------------
  free energy    TOTEN  =        -0.13734204 eV

  energy without entropy =       -0.13734204

 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1      -0.0001      0.00000
      2       0.0000      0.00000
      3       0.0001      0.00000
      4       0.0000      0.00000
      5      -0.0327      0.00000
      6      -0.0249      0.00000
      7      -0.0151      0.00000
      8      -0.0007      0.00000
      9       0.0000      0.00000
     10       0.0007      0.00000
     11       0.0152      0.00000
     12       0.0249      0.00000
     13       0.0327      0.00000
     14      -0.0916      0.00000
     15      -0.0579      0.00000
     16      -0.0567      0.00000
     17      -0.0314      0.00000
     18      -0.0213      0.00000
     19      -0.0011      0.00000
     20       0.0000      0.00000
     21       0.0001      0.00000
     22       0.0001      0.00000
     23       0.0011      0.00000
     24       0.0213      0.00000
     25       0.0315      0.00000
     26       0.0566      0.00000
     27       0.0579      0.00000
     28       0.0914      0.00000
     29      -0.0270      0.00000
     30      -0.0153      0.00000
     31      -0.0200      0.00000
     32      -0.0109      0.00000
     33      -0.0045      0.00000
     34       0.0001      0.00000
     35      -0.0001      0.00000
     36       0.0045      0.00000
     37       0.0109      0.00000
     38       0.0201      0.00000
     39       0.0153      0.00000
     40       0.0270      0.00000
     41      -0.0006      0.00000
     42      -0.0001      0.00000
     43       0.0006      0.00000
     44      -0.0648      0.00000
     45      -0.0471      0.00000
     46      -0.0379      0.00000
     47      -0.0383      0.00000
     48      -0.0331      0.00000
     49      -0.0084      0.00000
     50       0.0015      0.00000
     51       0.0001      0.00000
     52      -0.0015      0.00000
     53       0.0085      0.00000
     54       0.0330      0.00000
     55       0.0383      0.00000
     56       0.0379      0.00000
     57       0.0471      0.00000
     58       0.0647      0.00000
     59      -0.1419      0.00000
     60      -0.1296      0.00000
     61      -0.1085      0.00000
     62      -0.0964      0.00000
     63      -0.0910      0.00000
     64      -0.0738      0.00000
     65      -0.0653      0.00000
     66      -0.0492      0.00000
     67      -0.0403      0.00000
     68      -0.0364      0.00000
     69      -0.0281      0.00000
     70      -0.0128      0.00000
     71       0.0085      0.00000
     72      -0.0051      0.00000
     73       0.0090      0.00000
     74       0.0009      0.00000
     75       0.0061      0.00000
     76       0.0005      0.00000
     77       0.0001      0.00000
     78       0.0001      0.00000
     79      -0.0003      0.00000
     80      -0.0059      0.00000
     81      -0.0007      0.00000
     82      -0.0087      0.00000
     83       0.0052      0.00000
     84      -0.0083      0.00000
     85       0.0129      0.00000
     86       0.0282      0.00000
     87       0.0365      0.00000
     88       0.0403      0.00000
     89       0.0492      0.00000
     90       0.0652      0.00000
     91       0.0737      0.00000
     92       0.0908      0.00000
     93       0.0962      0.00000
     94       0.1083      0.00000
     95       0.1292      0.00000
     96       0.1415      0.00000
     97       0.0000      0.00000
     98      -0.0746      0.00000
     99       0.0000      0.00000
    100       0.0746      0.00000
    101      -0.0745      0.00000
    102       0.0000      0.00000
    103       0.0745      0.00000
    104       0.0000      0.00000
    105      -0.0741      0.00000
    106       0.0000      0.00000
    107       0.0741      0.00000
    108      -0.1478      0.00000
    109      -0.0005      0.00000
    110       0.0000      0.00000
    111       0.0000      0.00000
    112       0.0005      0.00000
    113       0.1478      0.00000
    114      -0.0003      0.00000
    115       0.0000      0.00000
    116       0.0003      0.00000
    117      -0.0740      0.00000
    118       0.0000      0.00000
    119       0.0740      0.00000
    120      -0.0003      0.00000
    121       0.0000      0.00000
    122       0.0003      0.00000
    123      -0.1480      0.00000
    124      -0.0001      0.00000
    125       0.0000      0.00000
    126       0.0000      0.00000
    127       0.0001      0.00000
    128       0.1479      0.00000
    129       0.0000      0.00000
    130       0.0000      0.00000
    131       0.0000      0.00000
    132       0.0000      0.00000
    133      -0.0001      0.00000
    134       0.0000      0.00000
    135       0.0001      0.00000
    136      -0.0803      0.00000
    137       0.0000      0.00000
    138       0.0803      0.00000
    139      -0.0669      0.00000
    140      -0.0386      0.00000
    141       0.0000      0.00000
    142       0.0000      0.00000
    143       0.0386      0.00000
    144       0.0669      0.00000
    145      -0.0545      0.00000
    146      -0.0548      0.00000
    147       0.0000      0.00000
    148       0.0000      0.00000
    149       0.0548      0.00000
    150       0.0545      0.00000
    151      -0.0526      0.00000
    152       0.0000      0.00000
    153       0.0526      0.00000
    154      -0.0065      0.00000
    155       0.0000      0.00000
    156       0.0065      0.00000
    157      -0.0306      0.00000
    158      -0.0300      0.00000
    159       0.0000      0.00000
    160       0.0000      0.00000
    161       0.0300      0.00000
    162       0.0306      0.00000
    163      -0.0269      0.00000
    164       0.0000      0.00000
    165       0.0269      0.00000
    166      -0.0234      0.00000
    167       0.0000      0.00000
    168       0.0234      0.00000
    169      -0.0012      0.00000
    170       0.0000      0.00000
    171       0.0012      0.00000
    172      -0.0565      0.00000
    173      -0.0363      0.00000
    174       0.0000      0.00000
    175       0.0000      0.00000
    176       0.0363      0.00000
    177       0.0565      0.00000
    178      -0.0622      0.00000
    179      -0.0449      0.00000
    180       0.0000      0.00000
    181       0.0000      0.00000
    182       0.0449      0.00000
    183       0.0622      0.00000
    184      -0.0002      0.00000
    185       0.0000      0.00000
    186       0.0002      0.00000
    187       0.0009      0.00000
    188       0.0000      0.00000
    189      -0.0009      0.00000
    190      -0.0013      0.00000
    191       0.0000      0.00000
    192       0.0013      0.00000
    193      -0.0394      0.00000
    194       0.0000      0.00000
    195       0.0394      0.00000
    196      -0.0487      0.00000
    197       0.0000      0.00000
    198       0.0487      0.00000
    199      -0.0397      0.00000
    200       0.0000      0.00000
    201       0.0397      0.00000
    202       0.0000      0.00000
    203      -0.1025      0.00000
    204      -0.0164      0.00000
    205       0.0000      0.00000
    206       0.0000      0.00000
    207       0.0164      0.00000
    208       0.1025      0.00000
    209      -0.0002      0.00000
    210       0.0000      0.00000
    211       0.0002      0.00000
    212       0.0000      0.00000
    213       0.0000      0.00000
    214      -0.0384      0.00000
    215       0.0000      0.00000
    216       0.0384      0.00000
    217      -0.0807      0.00000
    218       0.0000      0.00000
    219       0.0807      0.00000
    220      -0.0387      0.00000
    221       0.0000      0.00000
    222       0.0387      0.00000
    223       0.0000      0.00000
    224       0.0000      0.00000
    225       0.0000      0.00000
    226      -0.0434      0.00000
    227       0.0000      0.00000
    228       0.0434      0.00000
    229      -0.0635      0.00000
    230       0.0000      0.00000
    231       0.0000      0.00000
    232       0.0635      0.00000
    233      -0.0036      0.00000
    234       0.0000      0.00000
    235       0.0036      0.00000
    236      -0.0426      0.00000
    237       0.0000      0.00000
    238       0.0426      0.00000
    239      -0.0026      0.00000
    240       0.0000      0.00000
    241       0.0026      0.00000
    242      -0.0498      0.00000
    243      -0.0495      0.00000
    244       0.0000      0.00000
    245       0.0000      0.00000
    246       0.0495      0.00000
    247       0.0498      0.00000
    248      -0.0917      0.00000
    249      -0.0267      0.00000
    250      -0.0011      0.00000
    251       0.0011      0.00000
    252       0.0267      0.00000
    253       0.0917      0.00000
    254      -0.0618      0.00000
    255      -0.0331      0.00000
    256       0.0000      0.00000
    257       0.0000      0.00000
    258       0.0331      0.00000
    259       0.0618      0.00000
    260      -0.0478      0.00000
    261       0.0000      0.00000
    262       0.0478      0.00000
    263      -0.0678      0.00000
    264      -0.0443      0.00000
    265      -0.0004      0.00000
    266       0.0005      0.00000
    267       0.0447      0.00000
    268       0.0678      0.00000
    269      -0.0155      0.00000
    270       0.0030      0.00000
    271       0.0193      0.00000
    272       0.0141      0.00000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time    0.08: real time    0.08
    FORNL :  cpu time    4.52: real time    4.54
    STRESS:  cpu time    8.40: real time    8.44
    FORCOR:  cpu time    0.69: real time    0.69
    FORLOC:  cpu time    0.08: real time    0.08
    FORNL :  cpu time    4.54: real time    4.55
    STRESS:  cpu time    8.38: real time    8.43
    FORCOR:  cpu time    0.69: real time    0.69

 INTERNAL STRAIN TENSOR  FOR ION    1  DIRECTION 1   (eV/Angst):
 -----------------------------------------------------------------------------
    -0.81239  0.00000  0.00000
     0.00000 -1.16525  0.00000
     0.00000  0.00000 -1.16525


 POSITION                   FORCE-CONSTANT FOR ION    1 DIRECTION 1 (eV/Angst/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -1.843366      0.000000      0.000000
      5.69030      0.00000      0.00000         0.304684      0.000000      0.000000
      0.00000      5.69030      0.00000        -0.004623      0.000000      0.000000
      5.69030      5.69030      0.00000         0.012284      0.000000      0.000000
      0.00000      0.00000      5.69030        -0.004623      0.000000      0.000000
      5.69030      0.00000      5.69030         0.012284      0.000000      0.000000
      0.00000      5.69030      5.69030        -0.015474      0.000000      0.000000
      5.69030      5.69030      5.69030         0.014665      0.000000      0.000000
      0.00000      2.84515      2.84515        -0.056038      0.000249      0.000249
      5.69030      2.84515      2.84515         0.038684     -0.000059     -0.000059
      0.00000      8.53545      2.84515        -0.056038     -0.000249      0.000249
      5.69030      8.53545      2.84515         0.038684      0.000059     -0.000059
      0.00000      2.84515      8.53545        -0.056038      0.000249     -0.000249
      5.69030      2.84515      8.53545         0.038684     -0.000059      0.000059
      0.00000      8.53545      8.53545        -0.056038     -0.000249     -0.000249
      5.69030      8.53545      8.53545         0.038684      0.000059      0.000059
      2.84515      0.00000      2.84515         0.049527      0.000000      0.190673
      8.53545      0.00000      2.84515         0.048804      0.000000     -0.189051
      2.84515      5.69030      2.84515        -0.000804      0.000000     -0.001707
      8.53545      5.69030      2.84515        -0.001020      0.000000      0.001851
      2.84515      0.00000      8.53545         0.049527      0.000000     -0.190673
      8.53545      0.00000      8.53545         0.048804      0.000000      0.189051
      2.84515      5.69030      8.53545        -0.000804      0.000000      0.001707
      8.53545      5.69030      8.53545        -0.001020      0.000000     -0.001851
      2.84515      2.84515      0.00000         0.049527      0.190673      0.000000
      8.53545      2.84515      0.00000         0.048804     -0.189051      0.000000
      2.84515      8.53545      0.00000         0.049527     -0.190673      0.000000
      8.53545      8.53545      0.00000         0.048804      0.189051      0.000000
      2.84515      2.84515      5.69030        -0.000804     -0.001707      0.000000
      8.53545      2.84515      5.69030        -0.001020      0.001851      0.000000
      2.84515      8.53545      5.69030        -0.000804      0.001707      0.000000
      8.53545      8.53545      5.69030        -0.001020     -0.001851      0.000000
      2.84515      2.84515      2.84515        -0.006922     -0.042722     -0.042722
      8.53545      2.84515      2.84515        -0.007535      0.042764      0.042764
      2.84515      8.53545      2.84515        -0.006922      0.042722     -0.042722
      8.53545      8.53545      2.84515        -0.007535     -0.042764      0.042764
      2.84515      2.84515      8.53545        -0.006922     -0.042722      0.042722
      8.53545      2.84515      8.53545        -0.007535      0.042764     -0.042764
      2.84515      8.53545      8.53545        -0.006922      0.042722      0.042722
      8.53545      8.53545      8.53545        -0.007535     -0.042764     -0.042764
      2.84515      0.00000      0.00000         0.469916      0.000000      0.000000
      8.53545      0.00000      0.00000         0.470434      0.000000      0.000000
      2.84515      5.69030      0.00000         0.005363      0.000000      0.000000
      8.53545      5.69030      0.00000         0.004357      0.000000      0.000000
      2.84515      0.00000      5.69030         0.005363      0.000000      0.000000
      8.53545      0.00000      5.69030         0.004357      0.000000      0.000000
      2.84515      5.69030      5.69030         0.000603      0.000000      0.000000
      8.53545      5.69030      5.69030        -0.000983      0.000000      0.000000
      0.00000      2.84515      0.00000         0.174439      0.000033      0.000000
      5.69030      2.84515      0.00000        -0.095419     -0.000016      0.000000
      0.00000      8.53545      0.00000         0.174439     -0.000033      0.000000
      5.69030      8.53545      0.00000        -0.095419      0.000016      0.000000
      0.00000      2.84515      5.69030         0.020118      0.000048      0.000000
      5.69030      2.84515      5.69030        -0.022644     -0.000164      0.000000
      0.00000      8.53545      5.69030         0.020118     -0.000048      0.000000
      5.69030      8.53545      5.69030        -0.022644      0.000164      0.000000
      0.00000      0.00000      2.84515         0.174439      0.000000      0.000033
      5.69030      0.00000      2.84515        -0.095419      0.000000     -0.000016
      0.00000      5.69030      2.84515         0.020118      0.000000      0.000048
      5.69030      5.69030      2.84515        -0.022644      0.000000     -0.000164
      0.00000      0.00000      8.53545         0.174439      0.000000     -0.000033
      5.69030      0.00000      8.53545        -0.095419      0.000000      0.000016
      0.00000      5.69030      8.53545         0.020118      0.000000     -0.000048
      5.69030      5.69030      8.53545        -0.022644      0.000000      0.000164
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000      0.000000




--------------------------------------------------------------------------------------------------------


 Linear response progress:
  Degree of freedom:   2/  2
  LATTYP: Found a simple cubic cell.
 ALAT       =    11.3806029524

  Lattice vectors:

 A1 = (  11.3806029524,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,  11.3806029524,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  11.3806029524)
 Subroutine PRICEL returns following result:

  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.6903014762

  Lattice vectors:

 A1 = (   2.8451507381,   2.8451507381,   0.0000000000)
 A2 = (   2.8451507381,   0.0000000000,  -2.8451507381)
 A3 = (   0.0000000000,   2.8451507381,  -2.8451507381)

  32 primitive cells build up your supercell.


Analysis of symmetry for initial positions (statically):

 Routine SETGRP: Setting up the symmetry group for a
 simple cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry O_h .

Analysis of symmetry for dynamics (positions and initial velocities):

 Subroutine DYNSYM returns: Found  2 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also     1 'primitive' translations


The dynamic configuration has the point symmetry C_1h.


----------------------------------------- Iteration  100(   1)  ---------------------------------------


   POT+DIJ:  cpu time    2.59: real time    2.60
    HAMIL1:  cpu time    3.07: real time    3.08
    LRDIAG:  cpu time    4.54: real time    4.56
    LRDIIS:  cpu time   18.01: real time   18.08
    LRDIAG:  cpu time    4.49: real time    4.51
    --------------------------------------------
      LOOP:  cpu time   32.70: real time   32.84

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.11400542
  -V(xc)+E(xc)   XCENC  =         0.04205569
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.09575561
  ---------------------------------------------------
  free energy    TOTEN  =        -0.16770533 eV

  energy without entropy =       -0.16770533


----------------------------------------- Iteration  100(   2)  ---------------------------------------


   POT+DIJ:  cpu time    2.58: real time    2.59
    HAMIL1:  cpu time    3.07: real time    3.09
    LRDIAG:  cpu time    4.54: real time    4.55
    LRDIIS:  cpu time   14.97: real time   15.03
    LRDIAG:  cpu time    4.50: real time    4.52
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   32.47: real time   32.60

 Broyden mixing:
  rms(total) = 0.24609E+00    rms(broyden)= 0.24412E+00
  rms(prec ) = 0.40107E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.11400542
  -V(xc)+E(xc)   XCENC  =         0.04205569
  PAW double counting   =         0.00000000        0.00000000
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.09597323
  ---------------------------------------------------
  free energy    TOTEN  =        -0.16792296 eV

  energy without entropy =       -0.16792296


----------------------------------------- Iteration  100(   3)  ---------------------------------------


   POT+DIJ:  cpu time    2.59: real time    2.59
    HAMIL1:  cpu time    3.05: real time    3.07
    LRDIAG:  cpu time    4.55: real time    4.56
    LRDIIS:  cpu time   15.05: real time   15.11
    LRDIAG:  cpu time    4.43: real time    4.45
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   32.48: real time   32.60

 Broyden mixing:
  rms(total) = 0.13806E+00    rms(broyden)= 0.13789E+00
  rms(prec ) = 0.22518E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8912
  1.8912

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.11746268
  -V(xc)+E(xc)   XCENC  =         0.04336553
  PAW double counting   =         0.00000103       -0.00000113
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.09309576
  ---------------------------------------------------
  free energy    TOTEN  =        -0.16719301 eV

  energy without entropy =       -0.16719301


----------------------------------------- Iteration  100(   4)  ---------------------------------------


   POT+DIJ:  cpu time    2.58: real time    2.59
    HAMIL1:  cpu time    3.09: real time    3.10
    LRDIAG:  cpu time    4.53: real time    4.55
    LRDIIS:  cpu time   17.08: real time   17.15
    LRDIAG:  cpu time    4.44: real time    4.45
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   34.52: real time   34.66

 Broyden mixing:
  rms(total) = 0.56292E-01    rms(broyden)= 0.56226E-01
  rms(prec ) = 0.77381E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3121
  1.9447  2.6796

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.12058263
  -V(xc)+E(xc)   XCENC  =         0.04453579
  PAW double counting   =         0.00000447       -0.00000478
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.09064601
  ---------------------------------------------------
  free energy    TOTEN  =        -0.16669315 eV

  energy without entropy =       -0.16669315


----------------------------------------- Iteration  100(   5)  ---------------------------------------


   POT+DIJ:  cpu time    2.57: real time    2.59
    HAMIL1:  cpu time    3.09: real time    3.09
    LRDIAG:  cpu time    4.53: real time    4.56
    LRDIIS:  cpu time   20.05: real time   20.13
    LRDIAG:  cpu time    4.44: real time    4.45
    MIXING:  cpu time    0.02: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   37.49: real time   37.63

 Broyden mixing:
  rms(total) = 0.24237E-01    rms(broyden)= 0.24233E-01
  rms(prec ) = 0.33586E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6645
  0.8502  2.1942  1.9492

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.11978089
  -V(xc)+E(xc)   XCENC  =         0.04417102
  PAW double counting   =         0.00000461       -0.00000464
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.09130110
  ---------------------------------------------------
  free energy    TOTEN  =        -0.16691101 eV

  energy without entropy =       -0.16691101


----------------------------------------- Iteration  100(   6)  ---------------------------------------


   POT+DIJ:  cpu time    2.58: real time    2.59
    HAMIL1:  cpu time    3.08: real time    3.09
    LRDIAG:  cpu time    4.55: real time    4.56
    LRDIIS:  cpu time   21.15: real time   21.25
    LRDIAG:  cpu time    4.45: real time    4.46
    MIXING:  cpu time    0.02: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   38.62: real time   38.78

 Broyden mixing:
  rms(total) = 0.12189E-01    rms(broyden)= 0.12187E-01
  rms(prec ) = 0.19362E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9528
  0.9911  2.6409  2.6409  1.5384

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.12006986
  -V(xc)+E(xc)   XCENC  =         0.04427433
  PAW double counting   =         0.00000462       -0.00000467
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.09115082
  ---------------------------------------------------
  free energy    TOTEN  =        -0.16694640 eV

  energy without entropy =       -0.16694640


----------------------------------------- Iteration  100(   7)  ---------------------------------------


   POT+DIJ:  cpu time    2.58: real time    2.59
    HAMIL1:  cpu time    3.09: real time    3.10
    LRDIAG:  cpu time    4.54: real time    4.55
    LRDIIS:  cpu time   21.58: real time   21.67
    LRDIAG:  cpu time    4.43: real time    4.44
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   39.02: real time   39.18

 Broyden mixing:
  rms(total) = 0.35642E-02    rms(broyden)= 0.35609E-02
  rms(prec ) = 0.68947E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7552
  3.0085  2.5433  1.5529  0.9684  0.7031

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.12019072
  -V(xc)+E(xc)   XCENC  =         0.04428012
  PAW double counting   =         0.00000469       -0.00000468
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.09102658
  ---------------------------------------------------
  free energy    TOTEN  =        -0.16693717 eV

  energy without entropy =       -0.16693717


----------------------------------------- Iteration  100(   8)  ---------------------------------------


   POT+DIJ:  cpu time    2.59: real time    2.59
    HAMIL1:  cpu time    2.99: real time    3.02
    LRDIAG:  cpu time    4.54: real time    4.55
    LRDIIS:  cpu time   21.91: real time   21.99
    LRDIAG:  cpu time    4.41: real time    4.44
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   39.24: real time   39.39

 Broyden mixing:
  rms(total) = 0.26512E-02    rms(broyden)= 0.26505E-02
  rms(prec ) = 0.46741E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7568
  3.0552  2.7321  1.5367  1.3665  0.9634  0.8868

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.12019584
  -V(xc)+E(xc)   XCENC  =         0.04427549
  PAW double counting   =         0.00000474       -0.00000473
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.09094857
  ---------------------------------------------------
  free energy    TOTEN  =        -0.16686891 eV

  energy without entropy =       -0.16686891


----------------------------------------- Iteration  100(   9)  ---------------------------------------


   POT+DIJ:  cpu time    2.58: real time    2.59
    HAMIL1:  cpu time    3.00: real time    3.01
    LRDIAG:  cpu time    4.54: real time    4.56
    LRDIIS:  cpu time   21.84: real time   21.93
    LRDIAG:  cpu time    4.43: real time    4.44
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   39.18: real time   39.34

 Broyden mixing:
  rms(total) = 0.11908E-02    rms(broyden)= 0.11892E-02
  rms(prec ) = 0.16665E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8324
  3.8227  2.7964  2.0891  1.4776  1.0650  0.7882  0.7882

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.12019204
  -V(xc)+E(xc)   XCENC  =         0.04426836
  PAW double counting   =         0.00000469       -0.00000469
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.09101175
  ---------------------------------------------------
  free energy    TOTEN  =        -0.16693542 eV

  energy without entropy =       -0.16693542


----------------------------------------- Iteration  100(  10)  ---------------------------------------


   POT+DIJ:  cpu time    2.58: real time    2.59
    HAMIL1:  cpu time    3.02: real time    3.03
    LRDIAG:  cpu time    4.53: real time    4.55
    LRDIIS:  cpu time   22.00: real time   22.08
    LRDIAG:  cpu time    4.41: real time    4.44
    MIXING:  cpu time    0.01: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   39.35: real time   39.50

 Broyden mixing:
  rms(total) = 0.10629E-02    rms(broyden)= 0.10624E-02
  rms(prec ) = 0.13157E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7639
  3.9922  2.7520  2.0695  1.2586  1.2586  0.8348  0.9728  0.9728

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  -1/2 Hartree   DENC   =        -0.12018788
  -V(xc)+E(xc)   XCENC  =         0.04426613
  PAW double counting   =         0.00000465       -0.00000465
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        -0.09097328
  ---------------------------------------------------
  free energy    TOTEN  =        -0.16689502 eV

  energy without entropy =       -0.16689502

 k-point   1 :       0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1      -0.0001      0.00000
      2       0.0000      0.00000
      3       0.0000      0.00000
      4       0.0000      0.00000
      5       0.0662      0.00000
      6       0.0624      0.00000
      7       0.0337      0.00000
      8       0.0009      0.00000
      9      -0.0001      0.00000
     10      -0.0011      0.00000
     11      -0.0337      0.00000
     12      -0.0623      0.00000
     13      -0.0661      0.00000
     14       0.1425      0.00000
     15       0.1541      0.00000
     16       0.0179      0.00000
     17       0.0030      0.00000
     18      -0.0019      0.00000
     19      -0.0009      0.00000
     20      -0.0175      0.00000
     21       0.0000      0.00000
     22       0.0174      0.00000
     23       0.0008      0.00000
     24       0.0018      0.00000
     25      -0.0032      0.00000
     26      -0.0178      0.00000
     27      -0.1540      0.00000
     28      -0.1423      0.00000
     29       0.0822      0.00000
     30       0.0975      0.00000
     31       0.0254      0.00000
     32      -0.0132      0.00000
     33       0.0027      0.00000
     34      -0.0001      0.00000
     35      -0.0001      0.00000
     36      -0.0029      0.00000
     37       0.0130      0.00000
     38      -0.0255      0.00000
     39      -0.0972      0.00000
     40      -0.0819      0.00000
     41      -0.0001      0.00000
     42      -0.0001      0.00000
     43       0.0002      0.00000
     44       0.1307      0.00000
     45       0.1376      0.00000
     46       0.0817      0.00000
     47       0.0048      0.00000
     48      -0.0079      0.00000
     49      -0.0074      0.00000
     50       0.0025      0.00000
     51      -0.0001      0.00000
     52      -0.0027      0.00000
     53       0.0072      0.00000
     54       0.0078      0.00000
     55      -0.0050      0.00000
     56      -0.0815      0.00000
     57      -0.1374      0.00000
     58      -0.1305      0.00000
     59       0.3243      0.00000
     60       0.3312      0.00000
     61       0.3028      0.00000
     62      -0.0046      0.00000
     63       0.0060      0.00000
     64       0.0085      0.00000
     65       0.0104      0.00000
     66       0.0081      0.00000
     67       0.0028      0.00000
     68      -0.0060      0.00000
     69       0.0579      0.00000
     70       0.0415      0.00000
     71      -0.0018      0.00000
     72       0.0105      0.00000
     73       0.0015      0.00000
     74       0.0139      0.00000
     75      -0.0089      0.00000
     76      -0.0011      0.00000
     77      -0.0001      0.00000
     78      -0.0001      0.00000
     79       0.0009      0.00000
     80       0.0087      0.00000
     81      -0.0141      0.00000
     82      -0.0017      0.00000
     83      -0.0107      0.00000
     84       0.0016      0.00000
     85      -0.0416      0.00000
     86      -0.0580      0.00000
     87       0.0059      0.00000
     88      -0.0029      0.00000
     89      -0.0082      0.00000
     90      -0.0104      0.00000
     91      -0.0087      0.00000
     92      -0.0062      0.00000
     93       0.0045      0.00000
     94      -0.3022      0.00000
     95      -0.3304      0.00000
     96      -0.3236      0.00000
     97       0.0000      0.00000
     98       0.0219      0.00000
     99       0.0000      0.00000
    100      -0.0219      0.00000
    101       0.0257      0.00000
    102       0.0000      0.00000
    103      -0.0257      0.00000
    104       0.0000      0.00000
    105       0.0278      0.00000
    106       0.0000      0.00000
    107      -0.0278      0.00000
    108      -0.0178      0.00000
    109       0.0695      0.00000
    110       0.0000      0.00000
    111       0.0000      0.00000
    112      -0.0695      0.00000
    113       0.0178      0.00000
    114      -0.0043      0.00000
    115       0.0000      0.00000
    116       0.0043      0.00000
    117       0.0320      0.00000
    118       0.0000      0.00000
    119      -0.0320      0.00000
    120      -0.0044      0.00000
    121       0.0000      0.00000
    122       0.0044      0.00000
    123      -0.0037      0.00000
    124       0.0708      0.00000
    125       0.0000      0.00000
    126       0.0000      0.00000
    127      -0.0708      0.00000
    128       0.0037      0.00000
    129      -0.0090      0.00000
    130       0.0000      0.00000
    131       0.0090      0.00000
    132       0.0000      0.00000
    133      -0.0057      0.00000
    134       0.0000      0.00000
    135       0.0057      0.00000
    136       0.0053      0.00000
    137       0.0000      0.00000
    138      -0.0053      0.00000
    139       0.0007      0.00000
    140      -0.0123      0.00000
    141       0.0000      0.00000
    142       0.0000      0.00000
    143       0.0123      0.00000
    144      -0.0007      0.00000
    145      -0.0168      0.00000
    146      -0.0078      0.00000
    147       0.0000      0.00000
    148       0.0000      0.00000
    149       0.0078      0.00000
    150       0.0168      0.00000
    151       0.0118      0.00000
    152       0.0000      0.00000
    153      -0.0118      0.00000
    154      -0.0030      0.00000
    155       0.0000      0.00000
    156       0.0030      0.00000
    157      -0.0439      0.00000
    158      -0.0388      0.00000
    159       0.0000      0.00000
    160       0.0000      0.00000
    161       0.0388      0.00000
    162       0.0439      0.00000
    163      -0.0340      0.00000
    164       0.0000      0.00000
    165       0.0340      0.00000
    166      -0.0213      0.00000
    167       0.0000      0.00000
    168       0.0213      0.00000
    169      -0.0266      0.00000
    170       0.0000      0.00000
    171       0.0265      0.00000
    172      -0.0722      0.00000
    173      -0.0254      0.00000
    174       0.0000      0.00000
    175       0.0000      0.00000
    176       0.0254      0.00000
    177       0.0722      0.00000
    178      -0.0365      0.00000
    179       0.0147      0.00000
    180       0.0000      0.00000
    181       0.0000      0.00000
    182      -0.0147      0.00000
    183       0.0365      0.00000
    184      -0.0001      0.00000
    185       0.0000      0.00000
    186       0.0001      0.00000
    187      -0.0176      0.00000
    188       0.0000      0.00000
    189       0.0176      0.00000
    190      -0.0227      0.00000
    191       0.0000      0.00000
    192       0.0227      0.00000
    193       0.0200      0.00000
    194       0.0000      0.00000
    195      -0.0200      0.00000
    196       0.0028      0.00000
    197       0.0000      0.00000
    198      -0.0028      0.00000
    199       0.0201      0.00000
    200       0.0000      0.00000
    201      -0.0201      0.00000
    202       0.0000      0.00000
    203      -0.0459      0.00000
    204      -0.0480      0.00000
    205       0.0000      0.00000
    206       0.0000      0.00000
    207       0.0480      0.00000
    208       0.0459      0.00000
    209      -0.0001      0.00000
    210       0.0000      0.00000
    211       0.0001      0.00000
    212       0.0000      0.00000
    213       0.0000      0.00000
    214       0.0200      0.00000
    215       0.0000      0.00000
    216      -0.0200      0.00000
    217      -0.0544      0.00000
    218       0.0000      0.00000
    219       0.0544      0.00000
    220       0.0201      0.00000
    221       0.0000      0.00000
    222      -0.0201      0.00000
    223       0.0000      0.00000
    224       0.0000      0.00000
    225       0.0000      0.00000
    226      -0.0957      0.00000
    227       0.0000      0.00000
    228       0.0957      0.00000
    229      -0.1430      0.00000
    230       0.0000      0.00000
    231       0.0000      0.00000
    232       0.1430      0.00000
    233      -0.0001      0.00000
    234       0.0000      0.00000
    235       0.0001      0.00000
    236      -0.1105      0.00000
    237       0.0000      0.00000
    238       0.1105      0.00000
    239      -0.0218      0.00000
    240       0.0000      0.00000
    241       0.0218      0.00000
    242      -0.1210      0.00000
    243      -0.0830      0.00000
    244       0.0000      0.00000
    245       0.0000      0.00000
    246       0.0830      0.00000
    247       0.1210      0.00000
    248      -0.0757      0.00000
    249      -0.0818      0.00000
    250      -0.0463      0.00000
    251       0.0463      0.00000
    252       0.0818      0.00000
    253       0.0757      0.00000
    254      -0.1467      0.00000
    255      -0.0183      0.00000
    256       0.0000      0.00000
    257       0.0000      0.00000
    258       0.0183      0.00000
    259       0.1467      0.00000
    260      -0.0346      0.00000
    261       0.0000      0.00000
    262       0.0346      0.00000
    263      -0.1223      0.00000
    264      -0.1274      0.00000
    265      -0.0003      0.00000
    266       0.0003      0.00000
    267       0.1272      0.00000
    268       0.1229      0.00000
    269       0.0331      0.00000
    270      -0.0230      0.00000
    271      -0.0344      0.00000
    272       0.0268      0.00000

 k-point   2 :      -0.2500    0.2500    0.2500
  band No.  band energies     occupation
      1      -0.0001      0.00000
      2       0.0000      0.00000
      3       0.0000      0.00000
      4       0.0000      0.00000
      5       0.0662      0.00000
      6       0.0624      0.00000
      7       0.0337      0.00000
      8       0.0009      0.00000
      9      -0.0001      0.00000
     10      -0.0011      0.00000
     11      -0.0337      0.00000
     12      -0.0623      0.00000
     13      -0.0661      0.00000
     14       0.1425      0.00000
     15       0.1541      0.00000
     16       0.0179      0.00000
     17       0.0030      0.00000
     18      -0.0019      0.00000
     19      -0.0009      0.00000
     20      -0.0175      0.00000
     21       0.0000      0.00000
     22       0.0174      0.00000
     23       0.0008      0.00000
     24       0.0018      0.00000
     25      -0.0032      0.00000
     26      -0.0178      0.00000
     27      -0.1540      0.00000
     28      -0.1423      0.00000
     29       0.0822      0.00000
     30       0.0975      0.00000
     31       0.0254      0.00000
     32      -0.0132      0.00000
     33       0.0027      0.00000
     34      -0.0001      0.00000
     35      -0.0001      0.00000
     36      -0.0029      0.00000
     37       0.0130      0.00000
     38      -0.0255      0.00000
     39      -0.0972      0.00000
     40      -0.0819      0.00000
     41      -0.0001      0.00000
     42      -0.0001      0.00000
     43       0.0002      0.00000
     44       0.1307      0.00000
     45       0.1376      0.00000
     46       0.0817      0.00000
     47       0.0048      0.00000
     48      -0.0079      0.00000
     49      -0.0074      0.00000
     50       0.0025      0.00000
     51      -0.0001      0.00000
     52      -0.0027      0.00000
     53       0.0072      0.00000
     54       0.0078      0.00000
     55      -0.0050      0.00000
     56      -0.0815      0.00000
     57      -0.1374      0.00000
     58      -0.1305      0.00000
     59       0.3243      0.00000
     60       0.3312      0.00000
     61       0.3028      0.00000
     62      -0.0046      0.00000
     63       0.0060      0.00000
     64       0.0085      0.00000
     65       0.0104      0.00000
     66       0.0081      0.00000
     67       0.0028      0.00000
     68      -0.0060      0.00000
     69       0.0578      0.00000
     70       0.0415      0.00000
     71      -0.0018      0.00000
     72       0.0105      0.00000
     73       0.0015      0.00000
     74       0.0139      0.00000
     75      -0.0088      0.00000
     76      -0.0011      0.00000
     77      -0.0001      0.00000
     78      -0.0001      0.00000
     79       0.0009      0.00000
     80       0.0086      0.00000
     81      -0.0141      0.00000
     82      -0.0016      0.00000
     83      -0.0107      0.00000
     84       0.0016      0.00000
     85      -0.0416      0.00000
     86      -0.0580      0.00000
     87       0.0058      0.00000
     88      -0.0029      0.00000
     89      -0.0082      0.00000
     90      -0.0104      0.00000
     91      -0.0087      0.00000
     92      -0.0062      0.00000
     93       0.0045      0.00000
     94      -0.3022      0.00000
     95      -0.3304      0.00000
     96      -0.3236      0.00000
     97       0.0000      0.00000
     98       0.0219      0.00000
     99       0.0000      0.00000
    100      -0.0219      0.00000
    101       0.0257      0.00000
    102       0.0000      0.00000
    103      -0.0257      0.00000
    104       0.0000      0.00000
    105       0.0278      0.00000
    106       0.0000      0.00000
    107      -0.0278      0.00000
    108      -0.0178      0.00000
    109       0.0694      0.00000
    110       0.0000      0.00000
    111       0.0000      0.00000
    112      -0.0695      0.00000
    113       0.0178      0.00000
    114      -0.0043      0.00000
    115       0.0000      0.00000
    116       0.0043      0.00000
    117       0.0320      0.00000
    118       0.0000      0.00000
    119      -0.0320      0.00000
    120      -0.0044      0.00000
    121       0.0000      0.00000
    122       0.0044      0.00000
    123      -0.0037      0.00000
    124       0.0708      0.00000
    125       0.0000      0.00000
    126       0.0000      0.00000
    127      -0.0708      0.00000
    128       0.0037      0.00000
    129      -0.0090      0.00000
    130       0.0000      0.00000
    131       0.0090      0.00000
    132       0.0000      0.00000
    133      -0.0057      0.00000
    134       0.0000      0.00000
    135       0.0057      0.00000
    136       0.0053      0.00000
    137       0.0000      0.00000
    138      -0.0053      0.00000
    139       0.0007      0.00000
    140      -0.0123      0.00000
    141       0.0000      0.00000
    142       0.0000      0.00000
    143       0.0123      0.00000
    144      -0.0007      0.00000
    145      -0.0168      0.00000
    146      -0.0078      0.00000
    147       0.0000      0.00000
    148       0.0000      0.00000
    149       0.0078      0.00000
    150       0.0168      0.00000
    151       0.0118      0.00000
    152       0.0000      0.00000
    153      -0.0118      0.00000
    154      -0.0030      0.00000
    155       0.0000      0.00000
    156       0.0030      0.00000
    157      -0.0439      0.00000
    158      -0.0388      0.00000
    159       0.0000      0.00000
    160       0.0000      0.00000
    161       0.0388      0.00000
    162       0.0439      0.00000
    163      -0.0340      0.00000
    164       0.0000      0.00000
    165       0.0340      0.00000
    166      -0.0213      0.00000
    167       0.0000      0.00000
    168       0.0213      0.00000
    169      -0.0265      0.00000
    170       0.0000      0.00000
    171       0.0266      0.00000
    172      -0.0722      0.00000
    173      -0.0254      0.00000
    174       0.0000      0.00000
    175       0.0000      0.00000
    176       0.0254      0.00000
    177       0.0722      0.00000
    178      -0.0365      0.00000
    179       0.0147      0.00000
    180       0.0000      0.00000
    181       0.0000      0.00000
    182      -0.0148      0.00000
    183       0.0365      0.00000
    184      -0.0001      0.00000
    185       0.0000      0.00000
    186       0.0001      0.00000
    187      -0.0176      0.00000
    188       0.0000      0.00000
    189       0.0176      0.00000
    190      -0.0227      0.00000
    191       0.0000      0.00000
    192       0.0227      0.00000
    193       0.0200      0.00000
    194       0.0000      0.00000
    195      -0.0200      0.00000
    196       0.0028      0.00000
    197       0.0000      0.00000
    198      -0.0028      0.00000
    199       0.0201      0.00000
    200       0.0000      0.00000
    201      -0.0201      0.00000
    202       0.0000      0.00000
    203      -0.0459      0.00000
    204      -0.0480      0.00000
    205       0.0000      0.00000
    206       0.0000      0.00000
    207       0.0480      0.00000
    208       0.0459      0.00000
    209      -0.0001      0.00000
    210       0.0000      0.00000
    211       0.0001      0.00000
    212       0.0000      0.00000
    213       0.0000      0.00000
    214       0.0200      0.00000
    215       0.0000      0.00000
    216      -0.0200      0.00000
    217      -0.0544      0.00000
    218       0.0000      0.00000
    219       0.0544      0.00000
    220       0.0201      0.00000
    221       0.0000      0.00000
    222      -0.0201      0.00000
    223       0.0000      0.00000
    224       0.0000      0.00000
    225       0.0000      0.00000
    226      -0.0957      0.00000
    227       0.0000      0.00000
    228       0.0957      0.00000
    229      -0.1430      0.00000
    230       0.0000      0.00000
    231       0.0000      0.00000
    232       0.1430      0.00000
    233      -0.0001      0.00000
    234       0.0000      0.00000
    235       0.0001      0.00000
    236      -0.1105      0.00000
    237       0.0000      0.00000
    238       0.1105      0.00000
    239      -0.0218      0.00000
    240       0.0000      0.00000
    241       0.0218      0.00000
    242      -0.1210      0.00000
    243      -0.0830      0.00000
    244       0.0000      0.00000
    245       0.0000      0.00000
    246       0.0830      0.00000
    247       0.1210      0.00000
    248      -0.0757      0.00000
    249      -0.0818      0.00000
    250      -0.0464      0.00000
    251       0.0463      0.00000
    252       0.0818      0.00000
    253       0.0757      0.00000
    254      -0.1467      0.00000
    255      -0.0183      0.00000
    256       0.0000      0.00000
    257       0.0000      0.00000
    258       0.0183      0.00000
    259       0.1467      0.00000
    260      -0.0345      0.00000
    261       0.0000      0.00000
    262       0.0345      0.00000
    263      -0.1227      0.00000
    264      -0.1254      0.00000
    265      -0.0020      0.00000
    266      -0.0001      0.00000
    267       0.1271      0.00000
    268       0.1226      0.00000
    269      -0.0748      0.00000
    270      -0.0115      0.00000
    271       0.0199      0.00000
    272       0.0243      0.00000

 k-point   3 :       0.2500   -0.2500    0.2500
  band No.  band energies     occupation
      1      -0.0001      0.00000
      2       0.0000      0.00000
      3       0.0000      0.00000
      4       0.0000      0.00000
      5       0.0662      0.00000
      6       0.0624      0.00000
      7       0.0337      0.00000
      8       0.0009      0.00000
      9      -0.0001      0.00000
     10      -0.0011      0.00000
     11      -0.0337      0.00000
     12      -0.0623      0.00000
     13      -0.0661      0.00000
     14       0.1425      0.00000
     15       0.1541      0.00000
     16       0.0179      0.00000
     17       0.0030      0.00000
     18      -0.0019      0.00000
     19      -0.0009      0.00000
     20      -0.0175      0.00000
     21       0.0000      0.00000
     22       0.0174      0.00000
     23       0.0008      0.00000
     24       0.0018      0.00000
     25      -0.0032      0.00000
     26      -0.0178      0.00000
     27      -0.1540      0.00000
     28      -0.1423      0.00000
     29       0.0822      0.00000
     30       0.0975      0.00000
     31       0.0254      0.00000
     32      -0.0132      0.00000
     33       0.0027      0.00000
     34      -0.0001      0.00000
     35      -0.0001      0.00000
     36      -0.0029      0.00000
     37       0.0130      0.00000
     38      -0.0255      0.00000
     39      -0.0972      0.00000
     40      -0.0819      0.00000
     41      -0.0001      0.00000
     42      -0.0001      0.00000
     43       0.0002      0.00000
     44       0.1307      0.00000
     45       0.1376      0.00000
     46       0.0817      0.00000
     47       0.0048      0.00000
     48      -0.0079      0.00000
     49      -0.0074      0.00000
     50       0.0025      0.00000
     51      -0.0001      0.00000
     52      -0.0027      0.00000
     53       0.0072      0.00000
     54       0.0078      0.00000
     55      -0.0050      0.00000
     56      -0.0815      0.00000
     57      -0.1374      0.00000
     58      -0.1305      0.00000
     59       0.3243      0.00000
     60       0.3312      0.00000
     61       0.3028      0.00000
     62      -0.0046      0.00000
     63       0.0060      0.00000
     64       0.0085      0.00000
     65       0.0104      0.00000
     66       0.0081      0.00000
     67       0.0028      0.00000
     68      -0.0060      0.00000
     69       0.0579      0.00000
     70       0.0415      0.00000
     71      -0.0018      0.00000
     72       0.0105      0.00000
     73       0.0015      0.00000
     74       0.0139      0.00000
     75      -0.0089      0.00000
     76      -0.0011      0.00000
     77      -0.0001      0.00000
     78      -0.0001      0.00000
     79       0.0009      0.00000
     80       0.0087      0.00000
     81      -0.0142      0.00000
     82      -0.0017      0.00000
     83      -0.0107      0.00000
     84       0.0016      0.00000
     85      -0.0416      0.00000
     86      -0.0580      0.00000
     87       0.0058      0.00000
     88      -0.0029      0.00000
     89      -0.0082      0.00000
     90      -0.0104      0.00000
     91      -0.0087      0.00000
     92      -0.0062      0.00000
     93       0.0045      0.00000
     94      -0.3022      0.00000
     95      -0.3304      0.00000
     96      -0.3236      0.00000
     97       0.0000      0.00000
     98       0.0219      0.00000
     99       0.0000      0.00000
    100      -0.0219      0.00000
    101       0.0257      0.00000
    102       0.0000      0.00000
    103      -0.0257      0.00000
    104       0.0000      0.00000
    105       0.0278      0.00000
    106       0.0000      0.00000
    107      -0.0278      0.00000
    108      -0.0178      0.00000
    109       0.0694      0.00000
    110       0.0000      0.00000
    111       0.0000      0.00000
    112      -0.0695      0.00000
    113       0.0178      0.00000
    114      -0.0043      0.00000
    115       0.0000      0.00000
    116       0.0043      0.00000
    117       0.0320      0.00000
    118       0.0000      0.00000
    119      -0.0320      0.00000
    120      -0.0044      0.00000
    121       0.0000      0.00000
    122       0.0044      0.00000
    123      -0.0037      0.00000
    124       0.0708      0.00000
    125       0.0000      0.00000
    126       0.0000      0.00000
    127      -0.0708      0.00000
    128       0.0037      0.00000
    129      -0.0090      0.00000
    130       0.0000      0.00000
    131       0.0090      0.00000
    132       0.0000      0.00000
    133      -0.0057      0.00000
    134       0.0000      0.00000
    135       0.0057      0.00000
    136       0.0053      0.00000
    137       0.0000      0.00000
    138      -0.0053      0.00000
    139       0.0007      0.00000
    140      -0.0123      0.00000
    141       0.0000      0.00000
    142       0.0000      0.00000
    143       0.0123      0.00000
    144      -0.0007      0.00000
    145      -0.0168      0.00000
    146      -0.0078      0.00000
    147       0.0000      0.00000
    148       0.0000      0.00000
    149       0.0078      0.00000
    150       0.0168      0.00000
    151       0.0118      0.00000
    152       0.0000      0.00000
    153      -0.0118      0.00000
    154      -0.0030      0.00000
    155       0.0000      0.00000
    156       0.0030      0.00000
    157      -0.0439      0.00000
    158      -0.0388      0.00000
    159       0.0000      0.00000
    160       0.0000      0.00000
    161       0.0388      0.00000
    162       0.0439      0.00000
    163      -0.0340      0.00000
    164       0.0000      0.00000
    165       0.0340      0.00000
    166      -0.0213      0.00000
    167       0.0000      0.00000
    168       0.0213      0.00000
    169      -0.0265      0.00000
    170       0.0000      0.00000
    171       0.0265      0.00000
    172      -0.0722      0.00000
    173      -0.0254      0.00000
    174       0.0000      0.00000
    175       0.0000      0.00000
    176       0.0254      0.00000
    177       0.0722      0.00000
    178      -0.0365      0.00000
    179       0.0147      0.00000
    180       0.0000      0.00000
    181       0.0000      0.00000
    182      -0.0147      0.00000
    183       0.0365      0.00000
    184      -0.0001      0.00000
    185       0.0000      0.00000
    186       0.0001      0.00000
    187      -0.0176      0.00000
    188       0.0000      0.00000
    189       0.0176      0.00000
    190      -0.0227      0.00000
    191       0.0000      0.00000
    192       0.0227      0.00000
    193       0.0200      0.00000
    194       0.0000      0.00000
    195      -0.0200      0.00000
    196       0.0028      0.00000
    197       0.0000      0.00000
    198      -0.0028      0.00000
    199       0.0201      0.00000
    200       0.0000      0.00000
    201      -0.0201      0.00000
    202       0.0000      0.00000
    203      -0.0459      0.00000
    204      -0.0480      0.00000
    205       0.0000      0.00000
    206       0.0000      0.00000
    207       0.0480      0.00000
    208       0.0459      0.00000
    209      -0.0001      0.00000
    210       0.0000      0.00000
    211       0.0001      0.00000
    212       0.0000      0.00000
    213       0.0000      0.00000
    214       0.0200      0.00000
    215       0.0000      0.00000
    216      -0.0200      0.00000
    217      -0.0544      0.00000
    218       0.0000      0.00000
    219       0.0544      0.00000
    220       0.0201      0.00000
    221       0.0000      0.00000
    222      -0.0201      0.00000
    223       0.0000      0.00000
    224       0.0000      0.00000
    225       0.0000      0.00000
    226      -0.0957      0.00000
    227       0.0000      0.00000
    228       0.0957      0.00000
    229      -0.1430      0.00000
    230       0.0000      0.00000
    231       0.0000      0.00000
    232       0.1430      0.00000
    233      -0.0001      0.00000
    234       0.0000      0.00000
    235       0.0001      0.00000
    236      -0.1105      0.00000
    237       0.0000      0.00000
    238       0.1105      0.00000
    239      -0.0218      0.00000
    240       0.0000      0.00000
    241       0.0218      0.00000
    242      -0.1210      0.00000
    243      -0.0830      0.00000
    244       0.0000      0.00000
    245       0.0000      0.00000
    246       0.0830      0.00000
    247       0.1210      0.00000
    248      -0.0757      0.00000
    249      -0.0818      0.00000
    250      -0.0463      0.00000
    251       0.0463      0.00000
    252       0.0818      0.00000
    253       0.0757      0.00000
    254      -0.1467      0.00000
    255      -0.0183      0.00000
    256       0.0000      0.00000
    257       0.0000      0.00000
    258       0.0183      0.00000
    259       0.1467      0.00000
    260      -0.0346      0.00000
    261       0.0000      0.00000
    262       0.0346      0.00000
    263      -0.1214      0.00000
    264      -0.1296      0.00000
    265       0.0007      0.00000
    266       0.0005      0.00000
    267       0.1246      0.00000
    268       0.1249      0.00000
    269       0.0153      0.00000
    270       0.0056      0.00000
    271      -0.0105      0.00000
    272       0.0092      0.00000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    FORLOC:  cpu time    0.08: real time    0.08
    FORNL :  cpu time    8.33: real time    8.36
    STRESS:  cpu time   16.51: real time   16.57
    FORCOR:  cpu time    0.69: real time    0.69
    FORLOC:  cpu time    0.08: real time    0.08
    FORNL :  cpu time    8.03: real time    8.06
    STRESS:  cpu time   16.56: real time   16.62
    FORCOR:  cpu time    0.69: real time    0.69

 INTERNAL STRAIN TENSOR  FOR ION   33  DIRECTION 1   (eV/Angst):
 -----------------------------------------------------------------------------
    -1.46473  0.41269  0.41269
     0.11995 -1.05275  0.03421
     0.11995  0.03421 -1.05275


 POSITION                   FORCE-CONSTANT FOR ION   33 DIRECTION 1 (eV/Angst/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.008036     -0.041286     -0.041286
      5.69030      0.00000      0.00000        -0.008180      0.041697      0.041697
      0.00000      5.69030      0.00000        -0.008036      0.041839     -0.041417
      5.69030      5.69030      0.00000        -0.008361     -0.041333      0.041497
      0.00000      0.00000      5.69030        -0.008036     -0.041417      0.041839
      5.69030      0.00000      5.69030        -0.008361      0.041497     -0.041333
      0.00000      5.69030      5.69030        -0.007519      0.041440      0.041440
      5.69030      5.69030      5.69030        -0.008021     -0.041646     -0.041646
      0.00000      2.84515      2.84515         0.459456     -0.000105     -0.000105
      5.69030      2.84515      2.84515         0.474957      0.000305      0.000305
      0.00000      8.53545      2.84515         0.002595      0.000106     -0.000073
      5.69030      8.53545      2.84515         0.004646     -0.000432     -0.000234
      0.00000      2.84515      8.53545         0.002595     -0.000073      0.000106
      5.69030      2.84515      8.53545         0.004646     -0.000234     -0.000432
      0.00000      8.53545      8.53545         0.000983      0.000677      0.000677
      5.69030      8.53545      8.53545        -0.000271     -0.000330     -0.000330
      2.84515      0.00000      2.84515         0.180032     -0.000845     -0.000723
      8.53545      0.00000      2.84515        -0.091203     -0.002420      0.000780
      2.84515      5.69030      2.84515         0.180745      0.000816      0.000714
      8.53545      5.69030      2.84515        -0.091106      0.001262     -0.000137
      2.84515      0.00000      8.53545         0.021309     -0.000110      0.000522
      8.53545      0.00000      8.53545        -0.022060     -0.000731     -0.000402
      2.84515      5.69030      8.53545         0.020846     -0.000120     -0.000080
      8.53545      5.69030      8.53545        -0.021898      0.000223     -0.000077
      2.84515      2.84515      0.00000         0.180032     -0.000723     -0.000845
      8.53545      2.84515      0.00000        -0.091203      0.000780     -0.002420
      2.84515      8.53545      0.00000         0.021309      0.000522     -0.000110
      8.53545      8.53545      0.00000        -0.022060     -0.000402     -0.000731
      2.84515      2.84515      5.69030         0.180745      0.000714      0.000816
      8.53545      2.84515      5.69030        -0.091106     -0.000137      0.001262
      2.84515      8.53545      5.69030         0.020846     -0.000080     -0.000120
      8.53545      8.53545      5.69030        -0.021898     -0.000077      0.000223
      2.84515      2.84515      2.84515        -2.314422      0.001486      0.001486
      8.53545      2.84515      2.84515         0.116280      0.000001      0.000001
      2.84515      8.53545      2.84515        -0.046590      0.000052      0.000021
      8.53545      8.53545      2.84515         0.057823     -0.000032     -0.000006
      2.84515      2.84515      8.53545        -0.046590      0.000021      0.000052
      8.53545      2.84515      8.53545         0.057823     -0.000006     -0.000032
      2.84515      8.53545      8.53545        -0.015688      0.000000      0.000000
      8.53545      8.53545      8.53545         0.015888      0.000006      0.000006
      2.84515      0.00000      0.00000        -0.073157     -0.000096     -0.000096
      8.53545      0.00000      0.00000         0.046890     -0.000082     -0.000082
      2.84515      5.69030      0.00000        -0.073010      0.000041     -0.000114
      8.53545      5.69030      0.00000         0.046755     -0.000140      0.000053
      2.84515      0.00000      5.69030        -0.073010     -0.000114      0.000041
      8.53545      0.00000      5.69030         0.046755      0.000053     -0.000140
      2.84515      5.69030      5.69030        -0.072828      0.000033      0.000033
      8.53545      5.69030      5.69030         0.046859      0.000036      0.000036
      0.00000      2.84515      0.00000         0.131269     -0.000033      0.192509
      5.69030      2.84515      0.00000         0.131132     -0.000146     -0.192489
      0.00000      8.53545      0.00000        -0.000735      0.000079      0.016740
      5.69030      8.53545      0.00000        -0.001199     -0.000084     -0.016845
      0.00000      2.84515      5.69030         0.131406     -0.000087     -0.192581
      5.69030      2.84515      5.69030         0.131195     -0.000077      0.192383
      0.00000      8.53545      5.69030        -0.000823      0.000041     -0.016391
      5.69030      8.53545      5.69030        -0.001327     -0.000127      0.016469
      0.00000      0.00000      2.84515         0.131269      0.192509     -0.000033
      5.69030      0.00000      2.84515         0.131132     -0.192489     -0.000146
      0.00000      5.69030      2.84515         0.131406     -0.192581     -0.000087
      5.69030      5.69030      2.84515         0.131195      0.192383     -0.000077
      0.00000      0.00000      8.53545        -0.000735      0.016740      0.000079
      5.69030      0.00000      8.53545        -0.001199     -0.016845     -0.000084
      0.00000      5.69030      8.53545        -0.000823     -0.016391      0.000041
      5.69030      5.69030      8.53545        -0.001327      0.016469     -0.000127
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000      0.000000




--------------------------------------------------------------------------------------------------------


  LATTYP: Found a simple cubic cell.
 ALAT       =    11.3806029524

  Lattice vectors:

 A1 = (  11.3806029524,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,  11.3806029524,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  11.3806029524)
 Subroutine PRICEL returns following result:

  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.6903014762

  Lattice vectors:

 A1 = (   2.8451507381,   2.8451507381,   0.0000000000)
 A2 = (   2.8451507381,   0.0000000000,  -2.8451507381)
 A3 = (   0.0000000000,   2.8451507381,  -2.8451507381)

  32 primitive cells build up your supercell.


Analysis of symmetry for initial positions (statically):

 Routine SETGRP: Setting up the symmetry group for a
 simple cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry O_h .

Analysis of symmetry for dynamics (positions and initial velocities):

 Subroutine DYNSYM returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also    32 'primitive' translations


The dynamic configuration has the point symmetry O_h .


--------------------------------------------------------------------------------------------------------



 INTERNAL STRAIN TENSOR FOR ION    1 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    2 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    3 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    4 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    5 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    6 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    7 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    8 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION    9 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   10 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   11 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   12 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   13 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   14 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   15 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   16 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   17 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   18 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   19 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   20 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   21 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   22 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   23 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   24 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   25 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   26 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   27 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   28 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   29 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   30 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   31 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   32 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   33 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   34 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   35 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   36 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   37 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   38 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   39 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   40 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   41 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   42 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   43 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   44 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   45 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   46 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   47 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   48 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   49 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   50 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   51 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   52 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   53 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   54 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   55 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   56 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   57 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   58 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   59 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   60 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   61 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   62 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   63 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 INTERNAL STRAIN TENSOR FOR ION   64 for displacements in x,y,z  (eV/Angst):
          X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------
  x     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  y     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  z     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000


--------------------------------------------------------------------------------------------------------



 SECOND DERIVATIVES (NOT SYMMETRIZED)
 ------------------------------------
               1X          1Y          1Z          2X          2Y          2Z          3X          3Y          3Z          4X          4Y          4Z          5X          5Y          5Z          6X          6Y          6Z          7X          7Y          7Z          8X          8Y          8Z          9X          9Y          9Z         10X         10Y         10Z         11X         11Y         11Z         12X         12Y         12Z         13X         13Y         13Z         14X         14Y         14Z         15X         15Y         15Z         16X         16Y         16Z         17X         17Y         17Z         18X         18Y         18Z         19X         19Y         19Z         20X         20Y         20Z         21X         21Y         21Z         22X         22Y         22Z         23X         23Y         23Z         24X         24Y         24Z         25X         25Y         25Z         26X         26Y         26Z         27X         27Y         27Z         28X         28Y         28Z         29X         29Y         29Z         30X         30Y         30Z         31X         31Y         31Z         32X         32Y         32Z         33X         33Y         33Z         34X         34Y         34Z         35X         35Y         35Z         36X         36Y         36Z         37X         37Y         37Z         38X         38Y         38Z         39X         39Y         39Z         40X         40Y         40Z         41X         41Y         41Z         42X         42Y         42Z         43X         43Y         43Z         44X         44Y         44Z         45X         45Y         45Z         46X         46Y         46Z         47X         47Y         47Z         48X         48Y         48Z         49X         49Y         49Z         50X         50Y         50Z         51X         51Y         51Z         52X         52Y         52Z         53X         53Y         53Z         54X         54Y         54Z         55X         55Y         55Z         56X         56Y         56Z         57X         57Y         57Z         58X         58Y         58Z         59X         59Y         59Z         60X         60Y         60Z         61X         61Y         61Z         62X         62Y         62Z         63X         63Y         63Z         64X         64Y         64Z
  1X    -1.843366    0.000000    0.000000    0.304684    0.000000    0.000000   -0.004623    0.000000    0.000000    0.012284    0.000000    0.000000   -0.004623    0.000000    0.000000    0.012284    0.000000    0.000000   -0.015474    0.000000    0.000000    0.014665    0.000000    0.000000   -0.056038    0.000000    0.000000    0.038684    0.000000    0.000000   -0.056038    0.000000    0.000000    0.038684    0.000000    0.000000   -0.056038    0.000000    0.000000    0.038684    0.000000    0.000000   -0.056038    0.000000    0.000000    0.038684    0.000000    0.000000    0.049166    0.000000    0.189862    0.049166    0.000000   -0.189862   -0.000912    0.000000   -0.001779   -0.000912    0.000000    0.001779    0.049166    0.000000   -0.189862    0.049166    0.000000    0.189862   -0.000912    0.000000    0.001779   -0.000912    0.000000   -0.001779    0.049166    0.189862    0.000000    0.049166   -0.189862    0.000000    0.049166   -0.189862    0.000000    0.049166    0.189862    0.000000   -0.000912   -0.001779    0.000000   -0.000912    0.001779    0.000000   -0.000912    0.001779    0.000000   -0.000912   -0.001779    0.000000   -0.007229   -0.042743   -0.042743   -0.007229    0.042743    0.042743   -0.007229    0.042743   -0.042743   -0.007229   -0.042743    0.042743   -0.007229   -0.042743    0.042743   -0.007229    0.042743   -0.042743   -0.007229    0.042743    0.042743   -0.007229   -0.042743   -0.042743    0.470175    0.000000    0.000000    0.470175    0.000000    0.000000    0.004860    0.000000    0.000000    0.004860    0.000000    0.000000    0.004860    0.000000    0.000000    0.004860    0.000000    0.000000   -0.000190    0.000000    0.000000   -0.000190    0.000000    0.000000    0.174439    0.000000    0.000000   -0.095419    0.000000    0.000000    0.174439    0.000000    0.000000   -0.095419    0.000000    0.000000    0.020118    0.000000    0.000000   -0.022644    0.000000    0.000000    0.020118    0.000000    0.000000   -0.022644    0.000000    0.000000    0.174439    0.000000    0.000000   -0.095419    0.000000    0.000000    0.020118    0.000000    0.000000   -0.022644    0.000000    0.000000    0.174439    0.000000    0.000000   -0.095419    0.000000    0.000000    0.020118    0.000000    0.000000   -0.022644    0.000000    0.000000
  1Y     0.000000   -1.843366    0.000000    0.000000   -0.004623    0.000000    0.000000    0.304684    0.000000    0.000000    0.012284    0.000000    0.000000   -0.004623    0.000000    0.000000   -0.015474    0.000000    0.000000    0.012284    0.000000    0.000000    0.014665    0.000000    0.000000    0.049166    0.189862    0.000000   -0.000912   -0.001779    0.000000    0.049166   -0.189862    0.000000   -0.000912    0.001779    0.000000    0.049166   -0.189862    0.000000   -0.000912    0.001779    0.000000    0.049166    0.189862    0.000000   -0.000912   -0.001779    0.000000   -0.056038    0.000000    0.000000   -0.056038    0.000000    0.000000    0.038684    0.000000    0.000000    0.038684    0.000000    0.000000   -0.056038    0.000000    0.000000   -0.056038    0.000000    0.000000    0.038684    0.000000    0.000000    0.038684    0.000000    0.189862    0.049166    0.000000   -0.189862    0.049166    0.000000   -0.189862    0.049166    0.000000    0.189862    0.049166    0.000000   -0.001779   -0.000912    0.000000    0.001779   -0.000912    0.000000    0.001779   -0.000912    0.000000   -0.001779   -0.000912    0.000000   -0.042743   -0.007229   -0.042743    0.042743   -0.007229   -0.042743    0.042743   -0.007229    0.042743   -0.042743   -0.007229    0.042743   -0.042743   -0.007229    0.042743    0.042743   -0.007229    0.042743    0.042743   -0.007229   -0.042743   -0.042743   -0.007229   -0.042743    0.000000    0.174439    0.000000    0.000000    0.174439    0.000000    0.000000   -0.095419    0.000000    0.000000   -0.095419    0.000000    0.000000    0.020118    0.000000    0.000000    0.020118    0.000000    0.000000   -0.022644    0.000000    0.000000   -0.022644    0.000000    0.000000    0.470175    0.000000    0.000000    0.004860    0.000000    0.000000    0.470175    0.000000    0.000000    0.004860    0.000000    0.000000    0.004860    0.000000    0.000000   -0.000190    0.000000    0.000000    0.004860    0.000000    0.000000   -0.000190    0.000000    0.000000    0.174439    0.000000    0.000000    0.020118    0.000000    0.000000   -0.095419    0.000000    0.000000   -0.022644    0.000000    0.000000    0.174439    0.000000    0.000000    0.020118    0.000000    0.000000   -0.095419    0.000000    0.000000   -0.022644    0.000000
  1Z     0.000000    0.000000   -1.843366    0.000000    0.000000   -0.004623    0.000000    0.000000   -0.004623    0.000000    0.000000   -0.015474    0.000000    0.000000    0.304684    0.000000    0.000000    0.012284    0.000000    0.000000    0.012284    0.000000    0.000000    0.014665    0.000000    0.189862    0.049166    0.000000   -0.001779   -0.000912    0.000000   -0.189862    0.049166    0.000000    0.001779   -0.000912    0.000000   -0.189862    0.049166    0.000000    0.001779   -0.000912    0.000000    0.189862    0.049166    0.000000   -0.001779   -0.000912    0.189862    0.000000    0.049166   -0.189862    0.000000    0.049166   -0.001779    0.000000   -0.000912    0.001779    0.000000   -0.000912   -0.189862    0.000000    0.049166    0.189862    0.000000    0.049166    0.001779    0.000000   -0.000912   -0.001779    0.000000   -0.000912    0.000000    0.000000   -0.056038    0.000000    0.000000   -0.056038    0.000000    0.000000   -0.056038    0.000000    0.000000   -0.056038    0.000000    0.000000    0.038684    0.000000    0.000000    0.038684    0.000000    0.000000    0.038684    0.000000    0.000000    0.038684   -0.042743   -0.042743   -0.007229    0.042743   -0.042743   -0.007229   -0.042743    0.042743   -0.007229    0.042743    0.042743   -0.007229    0.042743    0.042743   -0.007229   -0.042743    0.042743   -0.007229    0.042743   -0.042743   -0.007229   -0.042743   -0.042743   -0.007229    0.000000    0.000000    0.174439    0.000000    0.000000    0.174439    0.000000    0.000000    0.020118    0.000000    0.000000    0.020118    0.000000    0.000000   -0.095419    0.000000    0.000000   -0.095419    0.000000    0.000000   -0.022644    0.000000    0.000000   -0.022644    0.000000    0.000000    0.174439    0.000000    0.000000    0.020118    0.000000    0.000000    0.174439    0.000000    0.000000    0.020118    0.000000    0.000000   -0.095419    0.000000    0.000000   -0.022644    0.000000    0.000000   -0.095419    0.000000    0.000000   -0.022644    0.000000    0.000000    0.470175    0.000000    0.000000    0.004860    0.000000    0.000000    0.004860    0.000000    0.000000   -0.000190    0.000000    0.000000    0.470175    0.000000    0.000000    0.004860    0.000000    0.000000    0.004860    0.000000    0.000000   -0.000190
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 64X    -0.021979    0.000000    0.000000    0.021077    0.000000    0.000000   -0.091155    0.000000    0.000000    0.180389    0.000000    0.000000   -0.021979    0.000000    0.000000    0.021077    0.000000    0.000000   -0.091155    0.000000    0.000000    0.180389    0.000000    0.000000   -0.021979    0.000000    0.000000    0.021077    0.000000    0.000000   -0.021979    0.000000    0.000000    0.021077    0.000000    0.000000   -0.091155    0.000000    0.000000    0.180389    0.000000    0.000000   -0.091155    0.000000    0.000000    0.180389    0.000000    0.000000    0.000356    0.000000    0.000000    0.000356    0.000000    0.000000    0.003621    0.000000    0.000000    0.003621    0.000000    0.000000    0.003621    0.000000    0.000000    0.003621    0.000000    0.000000    0.467207    0.000000    0.000000    0.467207    0.000000    0.000000   -0.008069   -0.041519    0.041519   -0.008069    0.041519   -0.041519   -0.008069    0.041519    0.041519   -0.008069   -0.041519   -0.041519   -0.008069   -0.041519   -0.041519   -0.008069    0.041519    0.041519   -0.008069    0.041519   -0.041519   -0.008069   -0.041519    0.041519   -0.001021    0.016611    0.000000   -0.001021   -0.016611    0.000000   -0.001021   -0.016611    0.000000   -0.001021    0.016611    0.000000    0.131251    0.192490    0.000000    0.131251   -0.192490    0.000000    0.131251   -0.192490    0.000000    0.131251    0.192490    0.000000   -0.001021    0.000000   -0.016611   -0.001021    0.000000    0.016611    0.131251    0.000000   -0.192490    0.131251    0.000000    0.192490   -0.001021    0.000000    0.016611   -0.001021    0.000000   -0.016611    0.131251    0.000000    0.192490    0.131251    0.000000   -0.192490    0.046815    0.000000    0.000000   -0.073001    0.000000    0.000000    0.046815    0.000000    0.000000   -0.073001    0.000000    0.000000    0.046815    0.000000    0.000000   -0.073001    0.000000    0.000000    0.046815    0.000000    0.000000   -0.073001    0.000000    0.000000    0.015888    0.000000    0.000000   -0.015688    0.000000    0.000000    0.057823    0.000000    0.000000   -0.046590    0.000000    0.000000    0.057823    0.000000    0.000000   -0.046590    0.000000    0.000000    0.116280    0.000000    0.000000   -2.314422    0.000000    0.000000
 64Y     0.000000   -0.021979    0.000000    0.000000   -0.091155    0.000000    0.000000    0.021077    0.000000    0.000000    0.180389    0.000000    0.000000   -0.021979    0.000000    0.000000   -0.091155    0.000000    0.000000    0.021077    0.000000    0.000000    0.180389    0.000000    0.000000    0.000356    0.000000    0.000000    0.003621    0.000000    0.000000    0.000356    0.000000    0.000000    0.003621    0.000000    0.000000    0.003621    0.000000    0.000000    0.467207    0.000000    0.000000    0.003621    0.000000    0.000000    0.467207    0.000000    0.000000   -0.021979    0.000000    0.000000   -0.021979    0.000000    0.000000    0.021077    0.000000    0.000000    0.021077    0.000000    0.000000   -0.091155    0.000000    0.000000   -0.091155    0.000000    0.000000    0.180389    0.000000    0.000000    0.180389    0.000000   -0.041519   -0.008069    0.041519    0.041519   -0.008069    0.041519    0.041519   -0.008069   -0.041519   -0.041519   -0.008069   -0.041519   -0.041519   -0.008069   -0.041519    0.041519   -0.008069   -0.041519    0.041519   -0.008069    0.041519   -0.041519   -0.008069    0.041519    0.016611   -0.001021    0.000000   -0.016611   -0.001021    0.000000   -0.016611   -0.001021    0.000000    0.016611   -0.001021    0.000000    0.192490    0.131251    0.000000   -0.192490    0.131251    0.000000   -0.192490    0.131251    0.000000    0.192490    0.131251    0.000000    0.000000    0.046815    0.000000    0.000000    0.046815    0.000000    0.000000   -0.073001    0.000000    0.000000   -0.073001    0.000000    0.000000    0.046815    0.000000    0.000000    0.046815    0.000000    0.000000   -0.073001    0.000000    0.000000   -0.073001    0.000000    0.000000   -0.001021   -0.016611    0.000000    0.131251   -0.192490    0.000000   -0.001021    0.016611    0.000000    0.131251    0.192490    0.000000   -0.001021    0.016611    0.000000    0.131251    0.192490    0.000000   -0.001021   -0.016611    0.000000    0.131251   -0.192490    0.000000    0.015888    0.000000    0.000000    0.057823    0.000000    0.000000   -0.015688    0.000000    0.000000   -0.046590    0.000000    0.000000    0.057823    0.000000    0.000000    0.116280    0.000000    0.000000   -0.046590    0.000000    0.000000   -2.314422    0.000000
 64Z     0.000000    0.000000    0.000356    0.000000    0.000000    0.003621    0.000000    0.000000    0.003621    0.000000    0.000000    0.467207    0.000000    0.000000    0.000356    0.000000    0.000000    0.003621    0.000000    0.000000    0.003621    0.000000    0.000000    0.467207    0.000000    0.000000   -0.021979    0.000000    0.000000   -0.091155    0.000000    0.000000   -0.021979    0.000000    0.000000   -0.091155    0.000000    0.000000    0.021077    0.000000    0.000000    0.180389    0.000000    0.000000    0.021077    0.000000    0.000000    0.180389    0.000000    0.000000   -0.021979    0.000000    0.000000   -0.021979    0.000000    0.000000   -0.091155    0.000000    0.000000   -0.091155    0.000000    0.000000    0.021077    0.000000    0.000000    0.021077    0.000000    0.000000    0.180389    0.000000    0.000000    0.180389    0.041519    0.041519   -0.008069   -0.041519    0.041519   -0.008069    0.041519   -0.041519   -0.008069   -0.041519   -0.041519   -0.008069   -0.041519   -0.041519   -0.008069    0.041519   -0.041519   -0.008069   -0.041519    0.041519   -0.008069    0.041519    0.041519   -0.008069    0.000000    0.000000    0.046815    0.000000    0.000000    0.046815    0.000000    0.000000    0.046815    0.000000    0.000000    0.046815    0.000000    0.000000   -0.073001    0.000000    0.000000   -0.073001    0.000000    0.000000   -0.073001    0.000000    0.000000   -0.073001   -0.016611    0.000000   -0.001021    0.016611    0.000000   -0.001021   -0.192490    0.000000    0.131251    0.192490    0.000000    0.131251    0.016611    0.000000   -0.001021   -0.016611    0.000000   -0.001021    0.192490    0.000000    0.131251   -0.192490    0.000000    0.131251    0.000000   -0.016611   -0.001021    0.000000   -0.192490    0.131251    0.000000    0.016611   -0.001021    0.000000    0.192490    0.131251    0.000000    0.016611   -0.001021    0.000000    0.192490    0.131251    0.000000   -0.016611   -0.001021    0.000000   -0.192490    0.131251    0.000000    0.000000    0.015888    0.000000    0.000000    0.057823    0.000000    0.000000    0.057823    0.000000    0.000000    0.116280    0.000000    0.000000   -0.015688    0.000000    0.000000   -0.046590    0.000000    0.000000   -0.046590    0.000000    0.000000   -2.314422


 Eigenvectors and eigenvalues of the dynamical matrix
 ----------------------------------------------------


   1 f  =    6.252562 THz    39.286005 2PiTHz  208.563008 cm-1    25.858527 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.096352    0.089693   -0.058635
      5.690301  0.000000  0.000000    -0.096352   -0.089693    0.058635
      0.000000  5.690301  0.000000    -0.096352   -0.089693    0.058635
      5.690301  5.690301  0.000000     0.096352    0.089693   -0.058635
      0.000000  0.000000  5.690301    -0.096352   -0.089693    0.058635
      5.690301  0.000000  5.690301     0.096352    0.089693   -0.058635
      0.000000  5.690301  5.690301     0.096352    0.089693   -0.058635
      5.690301  5.690301  5.690301    -0.096352   -0.089693    0.058635
      0.000000  2.845151  2.845151     0.144569    0.058635   -0.089693
      5.690301  2.845151  2.845151    -0.144569   -0.058635    0.089693
      0.000000  8.535452  2.845151    -0.144569   -0.058635    0.089693
      5.690301  8.535452  2.845151     0.144569    0.058635   -0.089693
      0.000000  2.845151  8.535452    -0.144569   -0.058635    0.089693
      5.690301  2.845151  8.535452     0.144569    0.058635   -0.089693
      0.000000  8.535452  8.535452     0.144569    0.058635   -0.089693
      5.690301  8.535452  8.535452    -0.144569   -0.058635    0.089693
      2.845151  0.000000  2.845151     0.058635    0.144569   -0.096352
      8.535452  0.000000  2.845151    -0.058635   -0.144569    0.096352
      2.845151  5.690301  2.845151    -0.058635   -0.144569    0.096352
      8.535452  5.690301  2.845151     0.058635    0.144569   -0.096352
      2.845151  0.000000  8.535452    -0.058635   -0.144569    0.096352
      8.535452  0.000000  8.535452     0.058635    0.144569   -0.096352
      2.845151  5.690301  8.535452     0.058635    0.144569   -0.096352
      8.535452  5.690301  8.535452    -0.058635   -0.144569    0.096352
      2.845151  2.845151  0.000000    -0.089693   -0.096352    0.144569
      8.535452  2.845151  0.000000     0.089693    0.096352   -0.144569
      2.845151  8.535452  0.000000     0.089693    0.096352   -0.144569
      8.535452  8.535452  0.000000    -0.089693   -0.096352    0.144569
      2.845151  2.845151  5.690301     0.089693    0.096352   -0.144569
      8.535452  2.845151  5.690301    -0.089693   -0.096352    0.144569
      2.845151  8.535452  5.690301    -0.089693   -0.096352    0.144569
      8.535452  8.535452  5.690301     0.089693    0.096352   -0.144569
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

   2 f  =    6.252562 THz    39.286005 2PiTHz  208.563008 cm-1    25.858527 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.062979   -0.119733    0.059990
      5.690301  0.000000  0.000000     0.062979    0.119733   -0.059990
      0.000000  5.690301  0.000000     0.062979    0.119733   -0.059990
      5.690301  5.690301  0.000000    -0.062979   -0.119733    0.059990
      0.000000  0.000000  5.690301     0.062979    0.119733   -0.059990
      5.690301  0.000000  5.690301    -0.062979   -0.119733    0.059990
      0.000000  5.690301  5.690301    -0.062979   -0.119733    0.059990
      5.690301  5.690301  5.690301     0.062979    0.119733   -0.059990
      0.000000  2.845151  2.845151     0.140590   -0.059990    0.119733
      5.690301  2.845151  2.845151    -0.140590    0.059990   -0.119733
      0.000000  8.535452  2.845151    -0.140590    0.059990   -0.119733
      5.690301  8.535452  2.845151     0.140590   -0.059990    0.119733
      0.000000  2.845151  8.535452    -0.140590    0.059990   -0.119733
      5.690301  2.845151  8.535452     0.140590   -0.059990    0.119733
      0.000000  8.535452  8.535452     0.140590   -0.059990    0.119733
      5.690301  8.535452  8.535452    -0.140590    0.059990   -0.119733
      2.845151  0.000000  2.845151    -0.059990    0.140590    0.062979
      8.535452  0.000000  2.845151     0.059990   -0.140590   -0.062979
      2.845151  5.690301  2.845151     0.059990   -0.140590   -0.062979
      8.535452  5.690301  2.845151    -0.059990    0.140590    0.062979
      2.845151  0.000000  8.535452     0.059990   -0.140590   -0.062979
      8.535452  0.000000  8.535452    -0.059990    0.140590    0.062979
      2.845151  5.690301  8.535452    -0.059990    0.140590    0.062979
      8.535452  5.690301  8.535452     0.059990   -0.140590   -0.062979
      2.845151  2.845151  0.000000     0.119733    0.062979    0.140590
      8.535452  2.845151  0.000000    -0.119733   -0.062979   -0.140590
      2.845151  8.535452  0.000000    -0.119733   -0.062979   -0.140590
      8.535452  8.535452  0.000000     0.119733    0.062979    0.140590
      2.845151  2.845151  5.690301    -0.119733   -0.062979   -0.140590
      8.535452  2.845151  5.690301     0.119733    0.062979    0.140590
      2.845151  8.535452  5.690301     0.119733    0.062979    0.140590
      8.535452  8.535452  5.690301    -0.119733   -0.062979   -0.140590
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

   3 f  =    6.252562 THz    39.286005 2PiTHz  208.563008 cm-1    25.858527 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.095848    0.027966    0.177805
      5.690301  0.000000  0.000000    -0.095848   -0.027966   -0.177805
      0.000000  5.690301  0.000000    -0.095848   -0.027966   -0.177805
      5.690301  5.690301  0.000000     0.095848    0.027966    0.177805
      0.000000  0.000000  5.690301    -0.095848   -0.027966   -0.177805
      5.690301  0.000000  5.690301     0.095848    0.027966    0.177805
      0.000000  5.690301  5.690301     0.095848    0.027966    0.177805
      5.690301  5.690301  5.690301    -0.095848   -0.027966   -0.177805
      0.000000  2.845151  2.845151    -0.009116   -0.177805   -0.027966
      5.690301  2.845151  2.845151     0.009116    0.177805    0.027966
      0.000000  8.535452  2.845151     0.009116    0.177805    0.027966
      5.690301  8.535452  2.845151    -0.009116   -0.177805   -0.027966
      0.000000  2.845151  8.535452     0.009116    0.177805    0.027966
      5.690301  2.845151  8.535452    -0.009116   -0.177805   -0.027966
      0.000000  8.535452  8.535452    -0.009116   -0.177805   -0.027966
      5.690301  8.535452  8.535452     0.009116    0.177805    0.027966
      2.845151  0.000000  2.845151    -0.177805   -0.009116   -0.095848
      8.535452  0.000000  2.845151     0.177805    0.009116    0.095848
      2.845151  5.690301  2.845151     0.177805    0.009116    0.095848
      8.535452  5.690301  2.845151    -0.177805   -0.009116   -0.095848
      2.845151  0.000000  8.535452     0.177805    0.009116    0.095848
      8.535452  0.000000  8.535452    -0.177805   -0.009116   -0.095848
      2.845151  5.690301  8.535452    -0.177805   -0.009116   -0.095848
      8.535452  5.690301  8.535452     0.177805    0.009116    0.095848
      2.845151  2.845151  0.000000    -0.027966   -0.095848   -0.009116
      8.535452  2.845151  0.000000     0.027966    0.095848    0.009116
      2.845151  8.535452  0.000000     0.027966    0.095848    0.009116
      8.535452  8.535452  0.000000    -0.027966   -0.095848   -0.009116
      2.845151  2.845151  5.690301     0.027966    0.095848    0.009116
      8.535452  2.845151  5.690301    -0.027966   -0.095848   -0.009116
      2.845151  8.535452  5.690301    -0.027966   -0.095848   -0.009116
      8.535452  8.535452  5.690301     0.027966    0.095848    0.009116
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

   4 f  =    6.252562 THz    39.286005 2PiTHz  208.563008 cm-1    25.858527 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.138671    0.136028    0.054911
      5.690301  0.000000  0.000000     0.138671   -0.136028   -0.054911
      0.000000  5.690301  0.000000     0.138671   -0.136028   -0.054911
      5.690301  5.690301  0.000000    -0.138671    0.136028    0.054911
      0.000000  0.000000  5.690301     0.138671   -0.136028   -0.054911
      5.690301  0.000000  5.690301    -0.138671    0.136028    0.054911
      0.000000  5.690301  5.690301    -0.138671    0.136028    0.054911
      5.690301  5.690301  5.690301     0.138671   -0.136028   -0.054911
      0.000000  2.845151  2.845151     0.030298   -0.054911   -0.136028
      5.690301  2.845151  2.845151    -0.030298    0.054911    0.136028
      0.000000  8.535452  2.845151    -0.030298    0.054911    0.136028
      5.690301  8.535452  2.845151     0.030298   -0.054911   -0.136028
      0.000000  2.845151  8.535452    -0.030298    0.054911    0.136028
      5.690301  2.845151  8.535452     0.030298   -0.054911   -0.136028
      0.000000  8.535452  8.535452     0.030298   -0.054911   -0.136028
      5.690301  8.535452  8.535452    -0.030298    0.054911    0.136028
      2.845151  0.000000  2.845151    -0.054911    0.030298    0.138671
      8.535452  0.000000  2.845151     0.054911   -0.030298   -0.138671
      2.845151  5.690301  2.845151     0.054911   -0.030298   -0.138671
      8.535452  5.690301  2.845151    -0.054911    0.030298    0.138671
      2.845151  0.000000  8.535452     0.054911   -0.030298   -0.138671
      8.535452  0.000000  8.535452    -0.054911    0.030298    0.138671
      2.845151  5.690301  8.535452    -0.054911    0.030298    0.138671
      8.535452  5.690301  8.535452     0.054911   -0.030298   -0.138671
      2.845151  2.845151  0.000000    -0.136028    0.138671    0.030298
      8.535452  2.845151  0.000000     0.136028   -0.138671   -0.030298
      2.845151  8.535452  0.000000     0.136028   -0.138671   -0.030298
      8.535452  8.535452  0.000000    -0.136028    0.138671    0.030298
      2.845151  2.845151  5.690301     0.136028   -0.138671   -0.030298
      8.535452  2.845151  5.690301    -0.136028    0.138671    0.030298
      2.845151  8.535452  5.690301    -0.136028    0.138671    0.030298
      8.535452  8.535452  5.690301     0.136028   -0.138671   -0.030298
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

   5 f  =    5.979719 THz    37.571684 2PiTHz  199.461957 cm-1    24.730140 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.046012   -0.035639   -0.065413
      5.690301  0.000000  0.000000    -0.046012   -0.035639   -0.065413
      0.000000  5.690301  0.000000     0.046012    0.035639   -0.065413
      5.690301  5.690301  0.000000    -0.046012    0.035639   -0.065413
      0.000000  0.000000  5.690301     0.046012   -0.035639    0.065413
      5.690301  0.000000  5.690301    -0.046012   -0.035639    0.065413
      0.000000  5.690301  5.690301     0.046012    0.035639    0.065413
      5.690301  5.690301  5.690301    -0.046012    0.035639    0.065413
      0.000000  2.845151  2.845151     0.046012   -0.100681    0.000175
      5.690301  2.845151  2.845151    -0.046012   -0.100681    0.000175
      0.000000  8.535452  2.845151     0.046012    0.100681    0.000175
      5.690301  8.535452  2.845151    -0.046012    0.100681    0.000175
      0.000000  2.845151  8.535452     0.046012   -0.100681   -0.000175
      5.690301  2.845151  8.535452    -0.046012   -0.100681   -0.000175
      0.000000  8.535452  8.535452     0.046012    0.100681   -0.000175
      5.690301  8.535452  8.535452    -0.046012    0.100681   -0.000175
      2.845151  0.000000  2.845151     0.147064   -0.035639    0.000175
      8.535452  0.000000  2.845151    -0.147064   -0.035639    0.000175
      2.845151  5.690301  2.845151     0.147064    0.035639    0.000175
      8.535452  5.690301  2.845151    -0.147064    0.035639    0.000175
      2.845151  0.000000  8.535452     0.147064   -0.035639   -0.000175
      8.535452  0.000000  8.535452    -0.147064   -0.035639   -0.000175
      2.845151  5.690301  8.535452     0.147064    0.035639   -0.000175
      8.535452  5.690301  8.535452    -0.147064    0.035639   -0.000175
      2.845151  2.845151  0.000000     0.147064   -0.100681   -0.065413
      8.535452  2.845151  0.000000    -0.147064   -0.100681   -0.065413
      2.845151  8.535452  0.000000     0.147064    0.100681   -0.065413
      8.535452  8.535452  0.000000    -0.147064    0.100681   -0.065413
      2.845151  2.845151  5.690301     0.147064   -0.100681    0.065413
      8.535452  2.845151  5.690301    -0.147064   -0.100681    0.065413
      2.845151  8.535452  5.690301     0.147064    0.100681    0.065413
      8.535452  8.535452  5.690301    -0.147064    0.100681    0.065413
      2.845151  2.845151  2.845151    -0.112489    0.077010   -0.000134
      8.535452  2.845151  2.845151     0.112489    0.077010   -0.000134
      2.845151  8.535452  2.845151    -0.112489   -0.077010   -0.000134
      8.535452  8.535452  2.845151     0.112489   -0.077010   -0.000134
      2.845151  2.845151  8.535452    -0.112489    0.077010    0.000134
      8.535452  2.845151  8.535452     0.112489    0.077010    0.000134
      2.845151  8.535452  8.535452    -0.112489   -0.077010    0.000134
      8.535452  8.535452  8.535452     0.112489   -0.077010    0.000134
      2.845151  0.000000  0.000000    -0.112489    0.027260    0.050034
      8.535452  0.000000  0.000000     0.112489    0.027260    0.050034
      2.845151  5.690301  0.000000    -0.112489   -0.027260    0.050034
      8.535452  5.690301  0.000000     0.112489   -0.027260    0.050034
      2.845151  0.000000  5.690301    -0.112489    0.027260   -0.050034
      8.535452  0.000000  5.690301     0.112489    0.027260   -0.050034
      2.845151  5.690301  5.690301    -0.112489   -0.027260   -0.050034
      8.535452  5.690301  5.690301     0.112489   -0.027260   -0.050034
      0.000000  2.845151  0.000000    -0.035194    0.077010    0.050034
      5.690301  2.845151  0.000000     0.035194    0.077010    0.050034
      0.000000  8.535452  0.000000    -0.035194   -0.077010    0.050034
      5.690301  8.535452  0.000000     0.035194   -0.077010    0.050034
      0.000000  2.845151  5.690301    -0.035194    0.077010   -0.050034
      5.690301  2.845151  5.690301     0.035194    0.077010   -0.050034
      0.000000  8.535452  5.690301    -0.035194   -0.077010   -0.050034
      5.690301  8.535452  5.690301     0.035194   -0.077010   -0.050034
      0.000000  0.000000  2.845151    -0.035194    0.027260   -0.000134
      5.690301  0.000000  2.845151     0.035194    0.027260   -0.000134
      0.000000  5.690301  2.845151    -0.035194   -0.027260   -0.000134
      5.690301  5.690301  2.845151     0.035194   -0.027260   -0.000134
      0.000000  0.000000  8.535452    -0.035194    0.027260    0.000134
      5.690301  0.000000  8.535452     0.035194    0.027260    0.000134
      0.000000  5.690301  8.535452    -0.035194   -0.027260    0.000134
      5.690301  5.690301  8.535452     0.035194   -0.027260    0.000134

   6 f  =    5.979719 THz    37.571684 2PiTHz  199.461957 cm-1    24.730140 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.094794    0.108641    0.120268
      5.690301  0.000000  0.000000    -0.094794    0.108641    0.120268
      0.000000  5.690301  0.000000     0.094794   -0.108641    0.120268
      5.690301  5.690301  0.000000    -0.094794   -0.108641    0.120268
      0.000000  0.000000  5.690301     0.094794    0.108641   -0.120268
      5.690301  0.000000  5.690301    -0.094794    0.108641   -0.120268
      0.000000  5.690301  5.690301     0.094794   -0.108641   -0.120268
      5.690301  5.690301  5.690301    -0.094794   -0.108641   -0.120268
      0.000000  2.845151  2.845151     0.094794   -0.064336    0.000870
      5.690301  2.845151  2.845151    -0.094794   -0.064336    0.000870
      0.000000  8.535452  2.845151     0.094794    0.064336    0.000870
      5.690301  8.535452  2.845151    -0.094794    0.064336    0.000870
      0.000000  2.845151  8.535452     0.094794   -0.064336   -0.000870
      5.690301  2.845151  8.535452    -0.094794   -0.064336   -0.000870
      0.000000  8.535452  8.535452     0.094794    0.064336   -0.000870
      5.690301  8.535452  8.535452    -0.094794    0.064336   -0.000870
      2.845151  0.000000  2.845151     0.006118    0.108641    0.000870
      8.535452  0.000000  2.845151    -0.006118    0.108641    0.000870
      2.845151  5.690301  2.845151     0.006118   -0.108641    0.000870
      8.535452  5.690301  2.845151    -0.006118   -0.108641    0.000870
      2.845151  0.000000  8.535452     0.006118    0.108641   -0.000870
      8.535452  0.000000  8.535452    -0.006118    0.108641   -0.000870
      2.845151  5.690301  8.535452     0.006118   -0.108641   -0.000870
      8.535452  5.690301  8.535452    -0.006118   -0.108641   -0.000870
      2.845151  2.845151  0.000000     0.006118   -0.064336    0.120268
      8.535452  2.845151  0.000000    -0.006118   -0.064336    0.120268
      2.845151  8.535452  0.000000     0.006118    0.064336    0.120268
      8.535452  8.535452  0.000000    -0.006118    0.064336    0.120268
      2.845151  2.845151  5.690301     0.006118   -0.064336   -0.120268
      8.535452  2.845151  5.690301    -0.006118   -0.064336   -0.120268
      2.845151  8.535452  5.690301     0.006118    0.064336   -0.120268
      8.535452  8.535452  5.690301    -0.006118    0.064336   -0.120268
      2.845151  2.845151  2.845151    -0.004680    0.049210   -0.000666
      8.535452  2.845151  2.845151     0.004680    0.049210   -0.000666
      2.845151  8.535452  2.845151    -0.004680   -0.049210   -0.000666
      8.535452  8.535452  2.845151     0.004680   -0.049210   -0.000666
      2.845151  2.845151  8.535452    -0.004680    0.049210    0.000666
      8.535452  2.845151  8.535452     0.004680    0.049210    0.000666
      2.845151  8.535452  8.535452    -0.004680   -0.049210    0.000666
      8.535452  8.535452  8.535452     0.004680   -0.049210    0.000666
      2.845151  0.000000  0.000000    -0.004680   -0.083099   -0.091992
      8.535452  0.000000  0.000000     0.004680   -0.083099   -0.091992
      2.845151  5.690301  0.000000    -0.004680    0.083099   -0.091992
      8.535452  5.690301  0.000000     0.004680    0.083099   -0.091992
      2.845151  0.000000  5.690301    -0.004680   -0.083099    0.091992
      8.535452  0.000000  5.690301     0.004680   -0.083099    0.091992
      2.845151  5.690301  5.690301    -0.004680    0.083099    0.091992
      8.535452  5.690301  5.690301     0.004680    0.083099    0.091992
      0.000000  2.845151  0.000000    -0.072508    0.049210   -0.091992
      5.690301  2.845151  0.000000     0.072508    0.049210   -0.091992
      0.000000  8.535452  0.000000    -0.072508   -0.049210   -0.091992
      5.690301  8.535452  0.000000     0.072508   -0.049210   -0.091992
      0.000000  2.845151  5.690301    -0.072508    0.049210    0.091992
      5.690301  2.845151  5.690301     0.072508    0.049210    0.091992
      0.000000  8.535452  5.690301    -0.072508   -0.049210    0.091992
      5.690301  8.535452  5.690301     0.072508   -0.049210    0.091992
      0.000000  0.000000  2.845151    -0.072508   -0.083099   -0.000666
      5.690301  0.000000  2.845151     0.072508   -0.083099   -0.000666
      0.000000  5.690301  2.845151    -0.072508    0.083099   -0.000666
      5.690301  5.690301  2.845151     0.072508    0.083099   -0.000666
      0.000000  0.000000  8.535452    -0.072508   -0.083099    0.000666
      5.690301  0.000000  8.535452     0.072508   -0.083099    0.000666
      0.000000  5.690301  8.535452    -0.072508    0.083099    0.000666
      5.690301  5.690301  8.535452     0.072508    0.083099    0.000666

   7 f  =    5.979719 THz    37.571684 2PiTHz  199.461957 cm-1    24.730140 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.141528    0.036458   -0.113005
      5.690301  0.000000  0.000000    -0.141528    0.036458   -0.113005
      0.000000  5.690301  0.000000     0.141528   -0.036458   -0.113005
      5.690301  5.690301  0.000000    -0.141528   -0.036458   -0.113005
      0.000000  0.000000  5.690301     0.141528    0.036458    0.113005
      5.690301  0.000000  5.690301    -0.141528    0.036458    0.113005
      0.000000  5.690301  5.690301     0.141528   -0.036458    0.113005
      5.690301  5.690301  5.690301    -0.141528   -0.036458    0.113005
      0.000000  2.845151  2.845151     0.141528    0.054225   -0.000190
      5.690301  2.845151  2.845151    -0.141528    0.054225   -0.000190
      0.000000  8.535452  2.845151     0.141528   -0.054225   -0.000190
      5.690301  8.535452  2.845151    -0.141528   -0.054225   -0.000190
      0.000000  2.845151  8.535452     0.141528    0.054225    0.000190
      5.690301  2.845151  8.535452    -0.141528    0.054225    0.000190
      0.000000  8.535452  8.535452     0.141528   -0.054225    0.000190
      5.690301  8.535452  8.535452    -0.141528   -0.054225    0.000190
      2.845151  0.000000  2.845151    -0.048586    0.036458   -0.000190
      8.535452  0.000000  2.845151     0.048586    0.036458   -0.000190
      2.845151  5.690301  2.845151    -0.048586   -0.036458   -0.000190
      8.535452  5.690301  2.845151     0.048586   -0.036458   -0.000190
      2.845151  0.000000  8.535452    -0.048586    0.036458    0.000190
      8.535452  0.000000  8.535452     0.048586    0.036458    0.000190
      2.845151  5.690301  8.535452    -0.048586   -0.036458    0.000190
      8.535452  5.690301  8.535452     0.048586   -0.036458    0.000190
      2.845151  2.845151  0.000000    -0.048586    0.054225   -0.113005
      8.535452  2.845151  0.000000     0.048586    0.054225   -0.113005
      2.845151  8.535452  0.000000    -0.048586   -0.054225   -0.113005
      8.535452  8.535452  0.000000     0.048586   -0.054225   -0.113005
      2.845151  2.845151  5.690301    -0.048586    0.054225    0.113005
      8.535452  2.845151  5.690301     0.048586    0.054225    0.113005
      2.845151  8.535452  5.690301    -0.048586   -0.054225    0.113005
      8.535452  8.535452  5.690301     0.048586   -0.054225    0.113005
      2.845151  2.845151  2.845151     0.037163   -0.041476    0.000146
      8.535452  2.845151  2.845151    -0.037163   -0.041476    0.000146
      2.845151  8.535452  2.845151     0.037163    0.041476    0.000146
      8.535452  8.535452  2.845151    -0.037163    0.041476    0.000146
      2.845151  2.845151  8.535452     0.037163   -0.041476   -0.000146
      8.535452  2.845151  8.535452    -0.037163   -0.041476   -0.000146
      2.845151  8.535452  8.535452     0.037163    0.041476   -0.000146
      8.535452  8.535452  8.535452    -0.037163    0.041476   -0.000146
      2.845151  0.000000  0.000000     0.037163   -0.027887    0.086437
      8.535452  0.000000  0.000000    -0.037163   -0.027887    0.086437
      2.845151  5.690301  0.000000     0.037163    0.027887    0.086437
      8.535452  5.690301  0.000000    -0.037163    0.027887    0.086437
      2.845151  0.000000  5.690301     0.037163   -0.027887   -0.086437
      8.535452  0.000000  5.690301    -0.037163   -0.027887   -0.086437
      2.845151  5.690301  5.690301     0.037163    0.027887   -0.086437
      8.535452  5.690301  5.690301    -0.037163    0.027887   -0.086437
      0.000000  2.845151  0.000000    -0.108254   -0.041476    0.086437
      5.690301  2.845151  0.000000     0.108254   -0.041476    0.086437
      0.000000  8.535452  0.000000    -0.108254    0.041476    0.086437
      5.690301  8.535452  0.000000     0.108254    0.041476    0.086437
      0.000000  2.845151  5.690301    -0.108254   -0.041476   -0.086437
      5.690301  2.845151  5.690301     0.108254   -0.041476   -0.086437
      0.000000  8.535452  5.690301    -0.108254    0.041476   -0.086437
      5.690301  8.535452  5.690301     0.108254    0.041476   -0.086437
      0.000000  0.000000  2.845151    -0.108254   -0.027887    0.000146
      5.690301  0.000000  2.845151     0.108254   -0.027887    0.000146
      0.000000  5.690301  2.845151    -0.108254    0.027887    0.000146
      5.690301  5.690301  2.845151     0.108254    0.027887    0.000146
      0.000000  0.000000  8.535452    -0.108254   -0.027887   -0.000146
      5.690301  0.000000  8.535452     0.108254   -0.027887   -0.000146
      0.000000  5.690301  8.535452    -0.108254    0.027887   -0.000146
      5.690301  5.690301  8.535452     0.108254    0.027887   -0.000146

   8 f  =    5.979719 THz    37.571684 2PiTHz  199.461957 cm-1    24.730140 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.088607    0.157562   -0.074296
      5.690301  0.000000  0.000000     0.088607    0.157562   -0.074296
      0.000000  5.690301  0.000000    -0.088607   -0.157562   -0.074296
      5.690301  5.690301  0.000000     0.088607   -0.157562   -0.074296
      0.000000  0.000000  5.690301    -0.088607    0.157562    0.074296
      5.690301  0.000000  5.690301     0.088607    0.157562    0.074296
      0.000000  5.690301  5.690301    -0.088607   -0.157562    0.074296
      5.690301  5.690301  5.690301     0.088607   -0.157562    0.074296
      0.000000  2.845151  2.845151    -0.088607   -0.000085    0.012600
      5.690301  2.845151  2.845151     0.088607   -0.000085    0.012600
      0.000000  8.535452  2.845151    -0.088607    0.000085    0.012600
      5.690301  8.535452  2.845151     0.088607    0.000085    0.012600
      0.000000  2.845151  8.535452    -0.088607   -0.000085   -0.012600
      5.690301  2.845151  8.535452     0.088607   -0.000085   -0.012600
      0.000000  8.535452  8.535452    -0.088607    0.000085   -0.012600
      5.690301  8.535452  8.535452     0.088607    0.000085   -0.012600
      2.845151  0.000000  2.845151     0.032786    0.157562    0.012600
      8.535452  0.000000  2.845151    -0.032786    0.157562    0.012600
      2.845151  5.690301  2.845151     0.032786   -0.157562    0.012600
      8.535452  5.690301  2.845151    -0.032786   -0.157562    0.012600
      2.845151  0.000000  8.535452     0.032786    0.157562   -0.012600
      8.535452  0.000000  8.535452    -0.032786    0.157562   -0.012600
      2.845151  5.690301  8.535452     0.032786   -0.157562   -0.012600
      8.535452  5.690301  8.535452    -0.032786   -0.157562   -0.012600
      2.845151  2.845151  0.000000     0.032786   -0.000085   -0.074296
      8.535452  2.845151  0.000000    -0.032786   -0.000085   -0.074296
      2.845151  8.535452  0.000000     0.032786    0.000085   -0.074296
      8.535452  8.535452  0.000000    -0.032786    0.000085   -0.074296
      2.845151  2.845151  5.690301     0.032786   -0.000085    0.074296
      8.535452  2.845151  5.690301    -0.032786   -0.000085    0.074296
      2.845151  8.535452  5.690301     0.032786    0.000085    0.074296
      8.535452  8.535452  5.690301    -0.032786    0.000085    0.074296
      2.845151  2.845151  2.845151    -0.025078    0.000065   -0.009637
      8.535452  2.845151  2.845151     0.025078    0.000065   -0.009637
      2.845151  8.535452  2.845151    -0.025078   -0.000065   -0.009637
      8.535452  8.535452  2.845151     0.025078   -0.000065   -0.009637
      2.845151  2.845151  8.535452    -0.025078    0.000065    0.009637
      8.535452  2.845151  8.535452     0.025078    0.000065    0.009637
      2.845151  8.535452  8.535452    -0.025078   -0.000065    0.009637
      8.535452  8.535452  8.535452     0.025078   -0.000065    0.009637
      2.845151  0.000000  0.000000    -0.025078   -0.120519    0.056828
      8.535452  0.000000  0.000000     0.025078   -0.120519    0.056828
      2.845151  5.690301  0.000000    -0.025078    0.120519    0.056828
      8.535452  5.690301  0.000000     0.025078    0.120519    0.056828
      2.845151  0.000000  5.690301    -0.025078   -0.120519   -0.056828
      8.535452  0.000000  5.690301     0.025078   -0.120519   -0.056828
      2.845151  5.690301  5.690301    -0.025078    0.120519   -0.056828
      8.535452  5.690301  5.690301     0.025078    0.120519   -0.056828
      0.000000  2.845151  0.000000     0.067775    0.000065    0.056828
      5.690301  2.845151  0.000000    -0.067775    0.000065    0.056828
      0.000000  8.535452  0.000000     0.067775   -0.000065    0.056828
      5.690301  8.535452  0.000000    -0.067775   -0.000065    0.056828
      0.000000  2.845151  5.690301     0.067775    0.000065   -0.056828
      5.690301  2.845151  5.690301    -0.067775    0.000065   -0.056828
      0.000000  8.535452  5.690301     0.067775   -0.000065   -0.056828
      5.690301  8.535452  5.690301    -0.067775   -0.000065   -0.056828
      0.000000  0.000000  2.845151     0.067775   -0.120519   -0.009637
      5.690301  0.000000  2.845151    -0.067775   -0.120519   -0.009637
      0.000000  5.690301  2.845151     0.067775    0.120519   -0.009637
      5.690301  5.690301  2.845151    -0.067775    0.120519   -0.009637
      0.000000  0.000000  8.535452     0.067775   -0.120519    0.009637
      5.690301  0.000000  8.535452    -0.067775   -0.120519    0.009637
      0.000000  5.690301  8.535452     0.067775    0.120519    0.009637
      5.690301  5.690301  8.535452    -0.067775    0.120519    0.009637

   9 f  =    5.979719 THz    37.571684 2PiTHz  199.461957 cm-1    24.730140 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.005313   -0.010428    0.004145
      5.690301  0.000000  0.000000    -0.005313   -0.010428    0.004145
      0.000000  5.690301  0.000000     0.005313    0.010428    0.004145
      5.690301  5.690301  0.000000    -0.005313    0.010428    0.004145
      0.000000  0.000000  5.690301     0.005313   -0.010428   -0.004145
      5.690301  0.000000  5.690301    -0.005313   -0.010428   -0.004145
      0.000000  5.690301  5.690301     0.005313    0.010428   -0.004145
      5.690301  5.690301  5.690301    -0.005313    0.010428   -0.004145
      0.000000  2.845151  2.845151     0.005313    0.000429    0.198169
      5.690301  2.845151  2.845151    -0.005313    0.000429    0.198169
      0.000000  8.535452  2.845151     0.005313   -0.000429    0.198169
      5.690301  8.535452  2.845151    -0.005313   -0.000429    0.198169
      0.000000  2.845151  8.535452     0.005313    0.000429   -0.198169
      5.690301  2.845151  8.535452    -0.005313    0.000429   -0.198169
      0.000000  8.535452  8.535452     0.005313   -0.000429   -0.198169
      5.690301  8.535452  8.535452    -0.005313   -0.000429   -0.198169
      2.845151  0.000000  2.845151    -0.002288   -0.010428    0.198169
      8.535452  0.000000  2.845151     0.002288   -0.010428    0.198169
      2.845151  5.690301  2.845151    -0.002288    0.010428    0.198169
      8.535452  5.690301  2.845151     0.002288    0.010428    0.198169
      2.845151  0.000000  8.535452    -0.002288   -0.010428   -0.198169
      8.535452  0.000000  8.535452     0.002288   -0.010428   -0.198169
      2.845151  5.690301  8.535452    -0.002288    0.010428   -0.198169
      8.535452  5.690301  8.535452     0.002288    0.010428   -0.198169
      2.845151  2.845151  0.000000    -0.002288    0.000429    0.004145
      8.535452  2.845151  0.000000     0.002288    0.000429    0.004145
      2.845151  8.535452  0.000000    -0.002288   -0.000429    0.004145
      8.535452  8.535452  0.000000     0.002288   -0.000429    0.004145
      2.845151  2.845151  5.690301    -0.002288    0.000429   -0.004145
      8.535452  2.845151  5.690301     0.002288    0.000429   -0.004145
      2.845151  8.535452  5.690301    -0.002288   -0.000429   -0.004145
      8.535452  8.535452  5.690301     0.002288   -0.000429   -0.004145
      2.845151  2.845151  2.845151     0.001750   -0.000328   -0.151579
      8.535452  2.845151  2.845151    -0.001750   -0.000328   -0.151579
      2.845151  8.535452  2.845151     0.001750    0.000328   -0.151579
      8.535452  8.535452  2.845151    -0.001750    0.000328   -0.151579
      2.845151  2.845151  8.535452     0.001750   -0.000328    0.151579
      8.535452  2.845151  8.535452    -0.001750   -0.000328    0.151579
      2.845151  8.535452  8.535452     0.001750    0.000328    0.151579
      8.535452  8.535452  8.535452    -0.001750    0.000328    0.151579
      2.845151  0.000000  0.000000     0.001750    0.007977   -0.003170
      8.535452  0.000000  0.000000    -0.001750    0.007977   -0.003170
      2.845151  5.690301  0.000000     0.001750   -0.007977   -0.003170
      8.535452  5.690301  0.000000    -0.001750   -0.007977   -0.003170
      2.845151  0.000000  5.690301     0.001750    0.007977    0.003170
      8.535452  0.000000  5.690301    -0.001750    0.007977    0.003170
      2.845151  5.690301  5.690301     0.001750   -0.007977    0.003170
      8.535452  5.690301  5.690301    -0.001750   -0.007977    0.003170
      0.000000  2.845151  0.000000    -0.004064   -0.000328   -0.003170
      5.690301  2.845151  0.000000     0.004064   -0.000328   -0.003170
      0.000000  8.535452  0.000000    -0.004064    0.000328   -0.003170
      5.690301  8.535452  0.000000     0.004064    0.000328   -0.003170
      0.000000  2.845151  5.690301    -0.004064   -0.000328    0.003170
      5.690301  2.845151  5.690301     0.004064   -0.000328    0.003170
      0.000000  8.535452  5.690301    -0.004064    0.000328    0.003170
      5.690301  8.535452  5.690301     0.004064    0.000328    0.003170
      0.000000  0.000000  2.845151    -0.004064    0.007977   -0.151579
      5.690301  0.000000  2.845151     0.004064    0.007977   -0.151579
      0.000000  5.690301  2.845151    -0.004064   -0.007977   -0.151579
      5.690301  5.690301  2.845151     0.004064   -0.007977   -0.151579
      0.000000  0.000000  8.535452    -0.004064    0.007977    0.151579
      5.690301  0.000000  8.535452     0.004064    0.007977    0.151579
      0.000000  5.690301  8.535452    -0.004064   -0.007977    0.151579
      5.690301  5.690301  8.535452     0.004064   -0.007977    0.151579

  10 f  =    5.979719 THz    37.571684 2PiTHz  199.461957 cm-1    24.730140 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.020444    0.009677    0.048786
      5.690301  0.000000  0.000000    -0.020444    0.009677    0.048786
      0.000000  5.690301  0.000000     0.020444   -0.009677    0.048786
      5.690301  5.690301  0.000000    -0.020444   -0.009677    0.048786
      0.000000  0.000000  5.690301     0.020444    0.009677   -0.048786
      5.690301  0.000000  5.690301    -0.020444    0.009677   -0.048786
      0.000000  5.690301  5.690301     0.020444   -0.009677   -0.048786
      5.690301  5.690301  5.690301    -0.020444   -0.009677   -0.048786
      0.000000  2.845151  2.845151     0.020444    0.149045    0.000000
      5.690301  2.845151  2.845151    -0.020444    0.149045    0.000000
      0.000000  8.535452  2.845151     0.020444   -0.149045    0.000000
      5.690301  8.535452  2.845151    -0.020444   -0.149045    0.000000
      0.000000  2.845151  8.535452     0.020444    0.149045    0.000000
      5.690301  2.845151  8.535452    -0.020444    0.149045    0.000000
      0.000000  8.535452  8.535452     0.020444   -0.149045    0.000000
      5.690301  8.535452  8.535452    -0.020444   -0.149045    0.000000
      2.845151  0.000000  2.845151     0.119685    0.009677    0.000000
      8.535452  0.000000  2.845151    -0.119685    0.009677    0.000000
      2.845151  5.690301  2.845151     0.119685   -0.009677    0.000000
      8.535452  5.690301  2.845151    -0.119685   -0.009677    0.000000
      2.845151  0.000000  8.535452     0.119685    0.009677    0.000000
      8.535452  0.000000  8.535452    -0.119685    0.009677    0.000000
      2.845151  5.690301  8.535452     0.119685   -0.009677    0.000000
      8.535452  5.690301  8.535452    -0.119685   -0.009677    0.000000
      2.845151  2.845151  0.000000     0.119685    0.149045    0.048786
      8.535452  2.845151  0.000000    -0.119685    0.149045    0.048786
      2.845151  8.535452  0.000000     0.119685   -0.149045    0.048786
      8.535452  8.535452  0.000000    -0.119685   -0.149045    0.048786
      2.845151  2.845151  5.690301     0.119685    0.149045   -0.048786
      8.535452  2.845151  5.690301    -0.119685    0.149045   -0.048786
      2.845151  8.535452  5.690301     0.119685   -0.149045   -0.048786
      8.535452  8.535452  5.690301    -0.119685   -0.149045   -0.048786
      2.845151  2.845151  2.845151    -0.091547   -0.114004    0.000000
      8.535452  2.845151  2.845151     0.091547   -0.114004    0.000000
      2.845151  8.535452  2.845151    -0.091547    0.114004    0.000000
      8.535452  8.535452  2.845151     0.091547    0.114004    0.000000
      2.845151  2.845151  8.535452    -0.091547   -0.114004    0.000000
      8.535452  2.845151  8.535452     0.091547   -0.114004    0.000000
      2.845151  8.535452  8.535452    -0.091547    0.114004    0.000000
      8.535452  8.535452  8.535452     0.091547    0.114004    0.000000
      2.845151  0.000000  0.000000    -0.091547   -0.007402   -0.037316
      8.535452  0.000000  0.000000     0.091547   -0.007402   -0.037316
      2.845151  5.690301  0.000000    -0.091547    0.007402   -0.037316
      8.535452  5.690301  0.000000     0.091547    0.007402   -0.037316
      2.845151  0.000000  5.690301    -0.091547   -0.007402    0.037316
      8.535452  0.000000  5.690301     0.091547   -0.007402    0.037316
      2.845151  5.690301  5.690301    -0.091547    0.007402    0.037316
      8.535452  5.690301  5.690301     0.091547    0.007402    0.037316
      0.000000  2.845151  0.000000    -0.015637   -0.114004   -0.037316
      5.690301  2.845151  0.000000     0.015637   -0.114004   -0.037316
      0.000000  8.535452  0.000000    -0.015637    0.114004   -0.037316
      5.690301  8.535452  0.000000     0.015637    0.114004   -0.037316
      0.000000  2.845151  5.690301    -0.015637   -0.114004    0.037316
      5.690301  2.845151  5.690301     0.015637   -0.114004    0.037316
      0.000000  8.535452  5.690301    -0.015637    0.114004    0.037316
      5.690301  8.535452  5.690301     0.015637    0.114004    0.037316
      0.000000  0.000000  2.845151    -0.015637   -0.007402    0.000000
      5.690301  0.000000  2.845151     0.015637   -0.007402    0.000000
      0.000000  5.690301  2.845151    -0.015637    0.007402    0.000000
      5.690301  5.690301  2.845151     0.015637    0.007402    0.000000
      0.000000  0.000000  8.535452    -0.015637   -0.007402    0.000000
      5.690301  0.000000  8.535452     0.015637   -0.007402    0.000000
      0.000000  5.690301  8.535452    -0.015637    0.007402    0.000000
      5.690301  5.690301  8.535452     0.015637    0.007402    0.000000

  11 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.001409    0.006309    0.000982
      5.690301  0.000000  0.000000     0.001409   -0.004969   -0.003985
      0.000000  5.690301  0.000000     0.001732   -0.006309    0.003985
      5.690301  5.690301  0.000000    -0.001732    0.004969   -0.000982
      0.000000  0.000000  5.690301    -0.001732    0.004969   -0.000982
      5.690301  0.000000  5.690301     0.001732   -0.006309    0.003985
      0.000000  5.690301  5.690301     0.001409   -0.004969   -0.003985
      5.690301  5.690301  5.690301    -0.001409    0.006309    0.000982
      0.000000  2.845151  2.845151    -0.007210    0.001010    0.155154
      5.690301  2.845151  2.845151     0.007210    0.001992   -0.156494
      0.000000  8.535452  2.845151    -0.007869   -0.001010    0.156494
      5.690301  8.535452  2.845151     0.007869   -0.001992   -0.155154
      0.000000  2.845151  8.535452     0.007869   -0.001992   -0.155154
      5.690301  2.845151  8.535452    -0.007869   -0.001010    0.156494
      0.000000  8.535452  8.535452     0.007210    0.001992   -0.156494
      5.690301  8.535452  8.535452    -0.007210    0.001010    0.155154
      2.845151  0.000000  2.845151    -0.002975   -0.005909    0.151505
      8.535452  0.000000  2.845151     0.002975   -0.006568    0.151827
      2.845151  5.690301  2.845151    -0.001993    0.005909   -0.151827
      8.535452  5.690301  2.845151     0.001993    0.006568   -0.151505
      2.845151  0.000000  8.535452     0.001993    0.006568   -0.151505
      8.535452  0.000000  8.535452    -0.001993    0.005909   -0.151827
      2.845151  5.690301  8.535452     0.002975   -0.006568    0.151827
      8.535452  5.690301  8.535452    -0.002975   -0.005909    0.151505
      2.845151  2.845151  0.000000     0.150185    0.153236   -0.013778
      8.535452  2.845151  0.000000    -0.150185    0.150096    0.001302
      2.845151  8.535452  0.000000     0.161463   -0.153236   -0.001302
      8.535452  8.535452  0.000000    -0.161463   -0.150096    0.013778
      2.845151  2.845151  5.690301    -0.161463   -0.150096    0.013778
      8.535452  2.845151  5.690301     0.161463   -0.153236   -0.001302
      2.845151  8.535452  5.690301    -0.150185    0.150096    0.001302
      8.535452  8.535452  5.690301     0.150185    0.153236   -0.013778
      2.845151  2.845151  2.845151     0.004580   -0.001732    0.000469
      8.535452  2.845151  2.845151    -0.004580    0.000039    0.000287
      2.845151  8.535452  2.845151    -0.001779    0.001732   -0.000287
      8.535452  8.535452  2.845151     0.001779   -0.000039   -0.000469
      2.845151  2.845151  8.535452     0.001779   -0.000039   -0.000469
      8.535452  2.845151  8.535452    -0.001779    0.001732   -0.000287
      2.845151  8.535452  8.535452    -0.004580    0.000039    0.000287
      8.535452  8.535452  8.535452     0.004580   -0.001732    0.000469
      2.845151  0.000000  0.000000    -0.087584   -0.000564    0.005098
      8.535452  0.000000  0.000000     0.087584   -0.000192   -0.003405
      2.845151  5.690301  0.000000    -0.088138    0.000564    0.003405
      8.535452  5.690301  0.000000     0.088138    0.000192   -0.005098
      2.845151  0.000000  5.690301     0.088138    0.000192   -0.005098
      8.535452  0.000000  5.690301    -0.088138    0.000564    0.003405
      2.845151  5.690301  5.690301     0.087584   -0.000192   -0.003405
      8.535452  5.690301  5.690301    -0.087584   -0.000564    0.005098
      0.000000  2.845151  0.000000    -0.000277   -0.085240    0.002117
      5.690301  2.845151  0.000000     0.000277   -0.085794    0.004918
      0.000000  8.535452  0.000000     0.000095    0.085240   -0.004918
      5.690301  8.535452  0.000000    -0.000095    0.085794   -0.002117
      0.000000  2.845151  5.690301    -0.000095    0.085794   -0.002117
      5.690301  2.845151  5.690301     0.000095    0.085240   -0.004918
      0.000000  8.535452  5.690301     0.000277   -0.085794    0.004918
      5.690301  8.535452  5.690301    -0.000277   -0.085240    0.002117
      0.000000  0.000000  2.845151     0.005137    0.000338   -0.173378
      5.690301  0.000000  2.845151    -0.005137    0.006697    0.002345
      0.000000  5.690301  2.845151     0.003366   -0.000338   -0.002345
      5.690301  5.690301  2.845151    -0.003366   -0.006697    0.173378
      0.000000  0.000000  8.535452    -0.003366   -0.006697    0.173378
      5.690301  0.000000  8.535452     0.003366   -0.000338   -0.002345
      0.000000  5.690301  8.535452    -0.005137    0.006697    0.002345
      5.690301  5.690301  8.535452     0.005137    0.000338   -0.173378

  12 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.160806   -0.012968   -0.034471
      5.690301  0.000000  0.000000    -0.160806    0.019959   -0.022591
      0.000000  5.690301  0.000000     0.100588    0.012968    0.022591
      5.690301  5.690301  0.000000    -0.100588   -0.019959    0.034471
      0.000000  0.000000  5.690301    -0.100588   -0.019959    0.034471
      5.690301  0.000000  5.690301     0.100588    0.012968    0.022591
      0.000000  5.690301  5.690301    -0.160806    0.019959   -0.022591
      5.690301  5.690301  5.690301     0.160806   -0.012968   -0.034471
      0.000000  2.845151  2.845151    -0.060374    0.138572    0.027951
      5.690301  2.845151  2.845151     0.060374   -0.081509   -0.034942
      0.000000  8.535452  2.845151    -0.091401   -0.138572    0.034942
      5.690301  8.535452  2.845151     0.091401    0.081509   -0.027951
      0.000000  2.845151  8.535452     0.091401    0.081509   -0.027951
      5.690301  2.845151  8.535452    -0.091401   -0.138572    0.034942
      0.000000  8.535452  8.535452     0.060374   -0.081509   -0.034942
      5.690301  8.535452  8.535452    -0.060374    0.138572    0.027951
      2.845151  0.000000  2.845151     0.115981    0.106155   -0.162143
      8.535452  0.000000  2.845151    -0.115981    0.075128    0.099251
      2.845151  5.690301  2.845151    -0.104100   -0.106155   -0.099251
      8.535452  5.690301  2.845151     0.104100   -0.075128    0.162143
      2.845151  0.000000  8.535452     0.104100   -0.075128    0.162143
      8.535452  0.000000  8.535452    -0.104100   -0.106155   -0.099251
      2.845151  5.690301  8.535452    -0.115981    0.075128    0.099251
      8.535452  5.690301  8.535452     0.115981    0.106155   -0.162143
      2.845151  2.845151  0.000000     0.047910   -0.061555    0.014754
      8.535452  2.845151  0.000000    -0.047910   -0.001337    0.166529
      2.845151  8.535452  0.000000     0.014983    0.061555   -0.166529
      8.535452  8.535452  0.000000    -0.014983    0.001337   -0.014754
      2.845151  2.845151  5.690301    -0.014983    0.001337   -0.014754
      8.535452  2.845151  5.690301     0.014983    0.061555   -0.166529
      2.845151  8.535452  5.690301    -0.047910   -0.001337    0.166529
      8.535452  8.535452  5.690301     0.047910   -0.061555    0.014754
      2.845151  2.845151  2.845151    -0.012632    0.000890    0.075664
      8.535452  2.845151  2.845151     0.012632   -0.033064   -0.071722
      2.845151  8.535452  2.845151     0.005934   -0.000890    0.071722
      8.535452  8.535452  2.845151    -0.005934    0.033064   -0.075664
      2.845151  2.845151  8.535452    -0.005934    0.033064   -0.075664
      8.535452  2.845151  8.535452     0.005934   -0.000890    0.071722
      2.845151  8.535452  8.535452     0.012632   -0.033064   -0.071722
      8.535452  8.535452  8.535452    -0.012632    0.000890    0.075664
      2.845151  0.000000  0.000000    -0.079777   -0.010718    0.058876
      8.535452  0.000000  0.000000     0.079777    0.006776   -0.026702
      2.845151  5.690301  0.000000     0.044315    0.010718    0.026702
      8.535452  5.690301  0.000000    -0.044315   -0.006776   -0.058876
      2.845151  0.000000  5.690301    -0.044315   -0.006776   -0.058876
      8.535452  0.000000  5.690301     0.044315    0.010718    0.026702
      2.845151  5.690301  5.690301     0.079777    0.006776   -0.026702
      8.535452  5.690301  5.690301    -0.079777   -0.010718    0.058876
      0.000000  2.845151  0.000000    -0.082441   -0.044315   -0.047759
      5.690301  2.845151  0.000000     0.082441    0.079777   -0.054457
      0.000000  8.535452  0.000000    -0.064946    0.044315    0.054457
      5.690301  8.535452  0.000000     0.064946   -0.079777    0.047759
      0.000000  2.845151  5.690301     0.064946   -0.079777    0.047759
      5.690301  2.845151  5.690301    -0.064946    0.044315    0.054457
      0.000000  8.535452  5.690301     0.082441    0.079777   -0.054457
      5.690301  8.535452  5.690301    -0.082441   -0.044315   -0.047759
      0.000000  0.000000  2.845151     0.025812   -0.041825    0.000000
      5.690301  0.000000  2.845151    -0.025812   -0.060391    0.035462
      0.000000  5.690301  2.845151     0.059766    0.041825   -0.035462
      5.690301  5.690301  2.845151    -0.059766    0.060391    0.000000
      0.000000  0.000000  8.535452    -0.059766    0.060391    0.000000
      5.690301  0.000000  8.535452     0.059766    0.041825   -0.035462
      0.000000  5.690301  8.535452    -0.025812   -0.060391    0.035462
      5.690301  5.690301  8.535452     0.025812   -0.041825    0.000000

  13 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.086172   -0.085905    0.104179
      5.690301  0.000000  0.000000    -0.086172   -0.043388    0.123796
      0.000000  5.690301  0.000000     0.054197    0.085905   -0.123796
      5.690301  5.690301  0.000000    -0.054197    0.043388   -0.104179
      0.000000  0.000000  5.690301    -0.054197    0.043388   -0.104179
      5.690301  0.000000  5.690301     0.054197    0.085905   -0.123796
      0.000000  5.690301  5.690301    -0.086172   -0.043388    0.123796
      5.690301  5.690301  5.690301     0.086172   -0.085905    0.104179
      0.000000  2.845151  2.845151    -0.008455   -0.032291    0.035925
      5.690301  2.845151  2.845151     0.008455   -0.195684    0.093369
      0.000000  8.535452  2.845151     0.123478    0.032291   -0.093369
      5.690301  8.535452  2.845151    -0.123478    0.195684   -0.035925
      0.000000  2.845151  8.535452    -0.123478    0.195684   -0.035925
      5.690301  2.845151  8.535452     0.123478    0.032291   -0.093369
      0.000000  8.535452  8.535452     0.008455   -0.195684    0.093369
      5.690301  8.535452  8.535452    -0.008455   -0.032291    0.035925
      2.845151  0.000000  2.845151     0.091505   -0.157468   -0.038716
      8.535452  0.000000  2.845151    -0.091505   -0.025534    0.101653
      2.845151  5.690301  2.845151    -0.071888    0.157468   -0.101653
      8.535452  5.690301  2.845151     0.071888    0.025534    0.038716
      2.845151  0.000000  8.535452     0.071888    0.025534    0.038716
      8.535452  0.000000  8.535452    -0.071888    0.157468   -0.101653
      2.845151  5.690301  8.535452    -0.091505   -0.025534    0.101653
      8.535452  5.690301  8.535452     0.091505   -0.157468   -0.038716
      2.845151  2.845151  0.000000    -0.007463    0.015481   -0.033990
      8.535452  2.845151  0.000000     0.007463    0.047456   -0.149012
      2.845151  8.535452  0.000000    -0.049980   -0.015481    0.149012
      8.535452  8.535452  0.000000     0.049980   -0.047456    0.033990
      2.845151  2.845151  5.690301     0.049980   -0.047456    0.033990
      8.535452  2.845151  5.690301    -0.049980   -0.015481    0.149012
      2.845151  8.535452  5.690301     0.007463    0.047456   -0.149012
      8.535452  8.535452  5.690301    -0.007463    0.015481   -0.033990
      2.845151  2.845151  2.845151    -0.017517    0.073286    0.003122
      8.535452  2.845151  2.845151     0.017517    0.055257   -0.076025
      2.845151  8.535452  2.845151     0.006456   -0.073286    0.076025
      8.535452  8.535452  2.845151    -0.006456   -0.055257   -0.003122
      2.845151  2.845151  8.535452    -0.006456   -0.055257   -0.003122
      8.535452  2.845151  8.535452     0.006456   -0.073286    0.076025
      2.845151  8.535452  8.535452     0.017517    0.055257   -0.076025
      8.535452  8.535452  8.535452    -0.017517    0.073286    0.003122
      2.845151  0.000000  0.000000    -0.029870    0.073646   -0.096699
      8.535452  0.000000  0.000000     0.029870   -0.000744   -0.031844
      2.845151  5.690301  0.000000     0.062259   -0.073646    0.031844
      8.535452  5.690301  0.000000    -0.062259    0.000744    0.096699
      2.845151  0.000000  5.690301    -0.062259    0.000744    0.096699
      8.535452  0.000000  5.690301     0.062259   -0.073646    0.031844
      2.845151  5.690301  5.690301     0.029870   -0.000744   -0.031844
      8.535452  5.690301  5.690301    -0.029870    0.073646   -0.096699
      0.000000  2.845151  0.000000    -0.002378   -0.063808    0.057123
      5.690301  2.845151  0.000000     0.002378    0.028321    0.046062
      0.000000  8.535452  0.000000    -0.076769    0.063808   -0.046062
      5.690301  8.535452  0.000000     0.076769   -0.028321   -0.057123
      0.000000  2.845151  5.690301     0.076769   -0.028321   -0.057123
      5.690301  2.845151  5.690301    -0.076769    0.063808   -0.046062
      0.000000  8.535452  5.690301     0.002378    0.028321    0.046062
      5.690301  8.535452  5.690301    -0.002378   -0.063808    0.057123
      0.000000  0.000000  2.845151    -0.041442    0.063579   -0.001549
      5.690301  0.000000  2.845151     0.041442    0.039606   -0.033938
      0.000000  5.690301  2.845151    -0.023413   -0.063579    0.033938
      5.690301  5.690301  2.845151     0.023413   -0.039606    0.001549
      0.000000  0.000000  8.535452     0.023413   -0.039606    0.001549
      5.690301  0.000000  8.535452    -0.023413   -0.063579    0.033938
      0.000000  5.690301  8.535452     0.041442    0.039606   -0.033938
      5.690301  5.690301  8.535452    -0.041442    0.063579   -0.001549

  14 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.109996   -0.045118    0.184462
      5.690301  0.000000  0.000000     0.109996    0.049416   -0.030889
      0.000000  5.690301  0.000000    -0.003141    0.045118    0.030889
      5.690301  5.690301  0.000000     0.003141   -0.049416   -0.184462
      0.000000  0.000000  5.690301     0.003141   -0.049416   -0.184462
      5.690301  0.000000  5.690301    -0.003141    0.045118    0.030889
      0.000000  5.690301  5.690301     0.109996    0.049416   -0.030889
      5.690301  5.690301  5.690301    -0.109996   -0.045118    0.184462
      0.000000  2.845151  2.845151    -0.114486   -0.065466    0.067670
      5.690301  2.845151  2.845151     0.114486   -0.088107   -0.071968
      0.000000  8.535452  2.845151     0.065867    0.065466    0.071968
      5.690301  8.535452  2.845151    -0.065867    0.088107   -0.067670
      0.000000  2.845151  8.535452    -0.065867    0.088107   -0.067670
      5.690301  2.845151  8.535452     0.065867    0.065466    0.071968
      0.000000  8.535452  8.535452     0.114486   -0.088107   -0.071968
      5.690301  8.535452  8.535452    -0.114486   -0.065466    0.067670
      2.845151  0.000000  2.845151    -0.096355   -0.035546   -0.013642
      8.535452  0.000000  2.845151     0.096355    0.144806   -0.126779
      2.845151  5.690301  2.845151    -0.118996    0.035546    0.126779
      8.535452  5.690301  2.845151     0.118996   -0.144806    0.013642
      2.845151  0.000000  8.535452     0.118996   -0.144806    0.013642
      8.535452  0.000000  8.535452    -0.118996    0.035546    0.126779
      2.845151  5.690301  8.535452     0.096355    0.144806   -0.126779
      8.535452  5.690301  8.535452    -0.096355   -0.035546   -0.013642
      2.845151  2.845151  0.000000     0.117086   -0.016783    0.030320
      8.535452  2.845151  0.000000    -0.117086   -0.123638    0.078940
      2.845151  8.535452  0.000000     0.022552    0.016783   -0.078940
      8.535452  8.535452  0.000000    -0.022552    0.123638   -0.030320
      2.845151  2.845151  5.690301    -0.022552    0.123638   -0.030320
      8.535452  2.845151  5.690301     0.022552    0.016783   -0.078940
      2.845151  8.535452  5.690301    -0.117086   -0.123638    0.078940
      8.535452  8.535452  5.690301     0.117086   -0.016783    0.030320
      2.845151  2.845151  2.845151     0.034061    0.013171   -0.030684
      8.535452  2.845151  2.845151    -0.034061    0.073421    0.033108
      2.845151  8.535452  2.845151     0.087364   -0.013171   -0.033108
      8.535452  8.535452  2.845151    -0.087364   -0.073421    0.030684
      2.845151  2.845151  8.535452    -0.087364   -0.073421    0.030684
      8.535452  2.845151  8.535452     0.087364   -0.013171   -0.033108
      2.845151  8.535452  8.535452    -0.034061    0.073421    0.033108
      8.535452  8.535452  8.535452     0.034061    0.013171   -0.030684
      2.845151  0.000000  0.000000    -0.045751    0.049634   -0.029589
      8.535452  0.000000  0.000000     0.045751   -0.052057   -0.057003
      2.845151  5.690301  0.000000    -0.032984   -0.049634    0.057003
      8.535452  5.690301  0.000000     0.032984    0.052057    0.029589
      2.845151  0.000000  5.690301     0.032984    0.052057    0.029589
      8.535452  0.000000  5.690301    -0.032984   -0.049634    0.057003
      2.845151  5.690301  5.690301     0.045751   -0.052057   -0.057003
      8.535452  5.690301  5.690301    -0.045751    0.049634   -0.029589
      0.000000  2.845151  0.000000     0.082742    0.033205   -0.091516
      5.690301  2.845151  0.000000    -0.082742    0.045971    0.029910
      0.000000  8.535452  0.000000    -0.018950   -0.033205   -0.029910
      5.690301  8.535452  0.000000     0.018950   -0.045971    0.091516
      0.000000  2.845151  5.690301     0.018950   -0.045971    0.091516
      5.690301  2.845151  5.690301    -0.018950   -0.033205   -0.029910
      0.000000  8.535452  5.690301    -0.082742    0.045971    0.029910
      5.690301  8.535452  5.690301     0.082742    0.033205   -0.091516
      0.000000  0.000000  2.845151     0.043832   -0.004151    0.000221
      5.690301  0.000000  2.845151    -0.043832   -0.057455    0.078956
      0.000000  5.690301  2.845151    -0.016418    0.004151   -0.078956
      5.690301  5.690301  2.845151     0.016418    0.057455   -0.000221
      0.000000  0.000000  8.535452     0.016418    0.057455   -0.000221
      5.690301  0.000000  8.535452    -0.016418    0.004151   -0.078956
      0.000000  5.690301  8.535452    -0.043832   -0.057455    0.078956
      5.690301  5.690301  8.535452     0.043832   -0.004151    0.000221

  15 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.005445   -0.146475   -0.016103
      5.690301  0.000000  0.000000    -0.005445    0.038611    0.003103
      0.000000  5.690301  0.000000    -0.027391    0.146475   -0.003103
      5.690301  5.690301  0.000000     0.027391   -0.038611    0.016103
      0.000000  0.000000  5.690301     0.027391   -0.038611    0.016103
      5.690301  0.000000  5.690301    -0.027391    0.146475   -0.003103
      0.000000  5.690301  5.690301    -0.005445    0.038611    0.003103
      5.690301  5.690301  5.690301     0.005445   -0.146475   -0.016103
      0.000000  2.845151  2.845151     0.127861   -0.004339    0.020212
      5.690301  2.845151  2.845151    -0.127861    0.017339    0.087651
      0.000000  8.535452  2.845151     0.108870    0.004339   -0.087651
      5.690301  8.535452  2.845151    -0.108870   -0.017339   -0.020212
      0.000000  2.845151  8.535452    -0.108870   -0.017339   -0.020212
      5.690301  2.845151  8.535452     0.108870    0.004339   -0.087651
      0.000000  8.535452  8.535452    -0.127861    0.017339    0.087651
      5.690301  8.535452  8.535452     0.127861   -0.004339    0.020212
      2.845151  0.000000  2.845151    -0.001237    0.142095    0.060853
      8.535452  0.000000  2.845151     0.001237    0.123105    0.038907
      2.845151  5.690301  2.845151     0.020442   -0.142095   -0.038907
      8.535452  5.690301  2.845151    -0.020442   -0.123105   -0.060853
      2.845151  0.000000  8.535452    -0.020442   -0.123105   -0.060853
      8.535452  0.000000  8.535452     0.020442   -0.142095   -0.038907
      2.845151  5.690301  8.535452     0.001237    0.123105    0.038907
      8.535452  5.690301  8.535452    -0.001237    0.142095    0.060853
      2.845151  2.845151  0.000000     0.058823    0.033462    0.250965
      8.535452  2.845151  0.000000    -0.058823    0.066298    0.014235
      2.845151  8.535452  0.000000    -0.126262   -0.033462   -0.014235
      8.535452  8.535452  0.000000     0.126262   -0.066298   -0.250965
      2.845151  2.845151  5.690301     0.126262   -0.066298   -0.250965
      8.535452  2.845151  5.690301    -0.126262   -0.033462   -0.014235
      2.845151  8.535452  5.690301    -0.058823    0.066298    0.014235
      8.535452  8.535452  5.690301     0.058823    0.033462    0.250965
      2.845151  2.845151  2.845151    -0.057595    0.005592   -0.036597
      8.535452  2.845151  2.845151     0.057595   -0.012922   -0.024222
      2.845151  8.535452  2.845151     0.046766   -0.005592    0.024222
      8.535452  8.535452  2.845151    -0.046766    0.012922    0.036597
      2.845151  2.845151  8.535452    -0.046766    0.012922    0.036597
      8.535452  2.845151  8.535452     0.046766   -0.005592    0.024222
      2.845151  8.535452  8.535452     0.057595   -0.012922   -0.024222
      8.535452  8.535452  8.535452    -0.057595    0.005592   -0.036597
      2.845151  0.000000  0.000000     0.025124    0.025056   -0.063075
      8.535452  0.000000  0.000000    -0.025124    0.035763    0.070405
      2.845151  5.690301  0.000000     0.012901   -0.025056   -0.070405
      8.535452  5.690301  0.000000    -0.012901   -0.035763    0.063075
      2.845151  0.000000  5.690301    -0.012901   -0.035763    0.063075
      8.535452  0.000000  5.690301     0.012901   -0.025056   -0.070405
      2.845151  5.690301  5.690301    -0.025124    0.035763    0.070405
      8.535452  5.690301  5.690301     0.025124    0.025056   -0.063075
      0.000000  2.845151  0.000000     0.000833   -0.022013   -0.069352
      5.690301  2.845151  0.000000    -0.000833   -0.034236   -0.080181
      0.000000  8.535452  0.000000     0.011541    0.022013    0.080181
      5.690301  8.535452  0.000000    -0.011541    0.034236    0.069352
      0.000000  2.845151  5.690301    -0.011541    0.034236    0.069352
      5.690301  2.845151  5.690301     0.011541    0.022013    0.080181
      0.000000  8.535452  5.690301    -0.000833   -0.034236   -0.080181
      5.690301  8.535452  5.690301     0.000833   -0.022013   -0.069352
      0.000000  0.000000  2.845151    -0.075997   -0.022586   -0.009112
      5.690301  0.000000  2.845151     0.075997   -0.126947   -0.047137
      0.000000  5.690301  2.845151    -0.057483    0.022586    0.047137
      5.690301  5.690301  2.845151     0.057483    0.126947    0.009112
      0.000000  0.000000  8.535452     0.057483    0.126947    0.009112
      5.690301  0.000000  8.535452    -0.057483    0.022586    0.047137
      0.000000  5.690301  8.535452     0.075997   -0.126947   -0.047137
      5.690301  5.690301  8.535452    -0.075997   -0.022586   -0.009112

  16 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.023177    0.052195    0.049522
      5.690301  0.000000  0.000000    -0.023177   -0.114314    0.155039
      0.000000  5.690301  0.000000     0.133365   -0.052195   -0.155039
      5.690301  5.690301  0.000000    -0.133365    0.114314   -0.049522
      0.000000  0.000000  5.690301    -0.133365    0.114314   -0.049522
      5.690301  0.000000  5.690301     0.133365   -0.052195   -0.155039
      0.000000  5.690301  5.690301    -0.023177   -0.114314    0.155039
      5.690301  5.690301  5.690301     0.023177    0.052195    0.049522
      0.000000  2.845151  2.845151     0.043273   -0.205284    0.062486
      5.690301  2.845151  2.845151    -0.043273    0.000723   -0.000367
      0.000000  8.535452  2.845151    -0.019306    0.205284    0.000367
      5.690301  8.535452  2.845151     0.019306   -0.000723   -0.062486
      0.000000  2.845151  8.535452     0.019306   -0.000723   -0.062486
      5.690301  2.845151  8.535452    -0.019306    0.205284    0.000367
      0.000000  8.535452  8.535452    -0.043273    0.000723   -0.000367
      5.690301  8.535452  8.535452     0.043273   -0.205284    0.062486
      2.845151  0.000000  2.845151    -0.050245    0.089708   -0.109698
      8.535452  0.000000  2.845151     0.050245    0.027129    0.046844
      2.845151  5.690301  2.845151     0.155763   -0.089708   -0.046844
      8.535452  5.690301  2.845151    -0.155763   -0.027129    0.109698
      2.845151  0.000000  8.535452    -0.155763   -0.027129    0.109698
      8.535452  0.000000  8.535452     0.155763   -0.089708   -0.046844
      2.845151  5.690301  8.535452     0.050245    0.027129    0.046844
      8.535452  5.690301  8.535452    -0.050245    0.089708   -0.109698
      2.845151  2.845151  0.000000    -0.051828    0.023667    0.070403
      8.535452  2.845151  0.000000     0.051828   -0.086521    0.046435
      2.845151  8.535452  0.000000     0.114681   -0.023667   -0.046435
      8.535452  8.535452  0.000000    -0.114681    0.086521   -0.070403
      2.845151  2.845151  5.690301    -0.114681    0.086521   -0.070403
      8.535452  2.845151  5.690301     0.114681   -0.023667   -0.046435
      2.845151  8.535452  5.690301     0.051828   -0.086521    0.046435
      8.535452  8.535452  5.690301    -0.051828    0.023667    0.070403
      2.845151  2.845151  2.845151     0.017195    0.026606    0.026620
      8.535452  2.845151  2.845151    -0.017195    0.088736   -0.061646
      2.845151  8.535452  2.845151    -0.076691   -0.026606    0.061646
      8.535452  8.535452  2.845151     0.076691   -0.088736   -0.026620
      2.845151  2.845151  8.535452     0.076691   -0.088736   -0.026620
      8.535452  2.845151  8.535452    -0.076691   -0.026606    0.061646
      2.845151  8.535452  8.535452    -0.017195    0.088736   -0.061646
      8.535452  8.535452  8.535452     0.017195    0.026606    0.026620
      2.845151  0.000000  0.000000     0.040359   -0.000130   -0.064428
      8.535452  0.000000  0.000000    -0.040359    0.035155   -0.050914
      2.845151  5.690301  0.000000    -0.075798    0.000130    0.050914
      8.535452  5.690301  0.000000     0.075798   -0.035155    0.064428
      2.845151  0.000000  5.690301     0.075798   -0.035155    0.064428
      8.535452  0.000000  5.690301    -0.075798    0.000130    0.050914
      2.845151  5.690301  5.690301    -0.040359    0.035155   -0.050914
      8.535452  5.690301  5.690301     0.040359   -0.000130   -0.064428
      0.000000  2.845151  0.000000    -0.061776    0.075799   -0.003191
      5.690301  2.845151  0.000000     0.061776   -0.040359   -0.062687
      0.000000  8.535452  0.000000    -0.026491   -0.075799    0.062687
      5.690301  8.535452  0.000000     0.026491    0.040359    0.003191
      0.000000  2.845151  5.690301     0.026491    0.040359    0.003191
      5.690301  2.845151  5.690301    -0.026491   -0.075799    0.062687
      0.000000  8.535452  5.690301     0.061776   -0.040359   -0.062687
      5.690301  8.535452  5.690301    -0.061776    0.075799   -0.003191
      0.000000  0.000000  2.845151     0.024308   -0.079882    0.000000
      5.690301  0.000000  2.845151    -0.024308    0.014004    0.035440
      0.000000  5.690301  2.845151    -0.037822    0.079882   -0.035440
      5.690301  5.690301  2.845151     0.037822   -0.014004    0.000000
      0.000000  0.000000  8.535452     0.037822   -0.014004    0.000000
      5.690301  0.000000  8.535452    -0.037822    0.079882   -0.035440
      0.000000  5.690301  8.535452    -0.024308    0.014004    0.035440
      5.690301  5.690301  8.535452     0.024308   -0.079882    0.000000

  17 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.143897   -0.091074    0.122419
      5.690301  0.000000  0.000000    -0.143897   -0.086807   -0.087518
      0.000000  5.690301  0.000000    -0.103019    0.091074    0.087518
      5.690301  5.690301  0.000000     0.103019    0.086807   -0.122419
      0.000000  0.000000  5.690301     0.103019    0.086807   -0.122419
      5.690301  0.000000  5.690301    -0.103019    0.091074    0.087518
      0.000000  5.690301  5.690301    -0.143897   -0.086807   -0.087518
      5.690301  5.690301  5.690301     0.143897   -0.091074    0.122419
      0.000000  2.845151  2.845151    -0.044670   -0.096508    0.064535
      5.690301  2.845151  2.845151     0.044670    0.061607    0.113347
      0.000000  8.535452  2.845151    -0.091718    0.096508   -0.113347
      5.690301  8.535452  2.845151     0.091718   -0.061607   -0.064535
      0.000000  2.845151  8.535452     0.091718   -0.061607   -0.064535
      5.690301  2.845151  8.535452    -0.091718    0.096508   -0.113347
      0.000000  8.535452  8.535452     0.044670    0.061607    0.113347
      5.690301  8.535452  8.535452    -0.044670   -0.096508    0.064535
      2.845151  0.000000  2.845151    -0.184026    0.019200    0.000944
      8.535452  0.000000  2.845151     0.184026   -0.027848    0.041821
      2.845151  5.690301  2.845151    -0.025911   -0.019200   -0.041821
      8.535452  5.690301  2.845151     0.025911    0.027848   -0.000944
      2.845151  0.000000  8.535452     0.025911    0.027848   -0.000944
      8.535452  0.000000  8.535452    -0.025911   -0.019200   -0.041821
      2.845151  5.690301  8.535452     0.184026   -0.027848    0.041821
      8.535452  5.690301  8.535452    -0.184026    0.019200    0.000944
      2.845151  2.845151  0.000000    -0.022273   -0.102076   -0.072519
      8.535452  2.845151  0.000000     0.022273    0.144840    0.063870
      2.845151  8.535452  0.000000    -0.026539    0.102076   -0.063870
      8.535452  8.535452  0.000000     0.026539   -0.144840    0.072519
      2.845151  2.845151  5.690301     0.026539   -0.144840    0.072519
      8.535452  2.845151  5.690301    -0.026539    0.102076   -0.063870
      2.845151  8.535452  5.690301     0.022273    0.144840    0.063870
      8.535452  8.535452  5.690301    -0.022273   -0.102076   -0.072519
      2.845151  2.845151  2.845151     0.057984    0.079451   -0.038625
      8.535452  2.845151  2.845151    -0.057984   -0.059772   -0.061673
      2.845151  8.535452  2.845151     0.060389   -0.079451    0.061673
      8.535452  8.535452  2.845151    -0.060389    0.059772    0.038625
      2.845151  2.845151  8.535452    -0.060389    0.059772    0.038625
      8.535452  2.845151  8.535452     0.060389   -0.079451    0.061673
      2.845151  8.535452  8.535452    -0.057984   -0.059772   -0.061673
      8.535452  8.535452  8.535452     0.057984    0.079451   -0.038625
      2.845151  0.000000  0.000000     0.058338    0.036885    0.028612
      8.535452  0.000000  0.000000    -0.058338    0.063413   -0.048291
      2.845151  5.690301  0.000000    -0.030815   -0.036885    0.048291
      8.535452  5.690301  0.000000     0.030815   -0.063413   -0.028612
      2.845151  0.000000  5.690301     0.030815   -0.063413   -0.028612
      8.535452  0.000000  5.690301    -0.030815   -0.036885    0.048291
      2.845151  5.690301  5.690301    -0.058338    0.063413   -0.048291
      8.535452  5.690301  5.690301     0.058338    0.036885    0.028612
      0.000000  2.845151  0.000000    -0.024788    0.032520   -0.056748
      5.690301  2.845151  0.000000     0.024788   -0.056633    0.061625
      0.000000  8.535452  0.000000     0.001740   -0.032520   -0.061625
      5.690301  8.535452  0.000000    -0.001740    0.056633    0.056748
      0.000000  2.845151  5.690301    -0.001740    0.056633    0.056748
      5.690301  2.845151  5.690301     0.001740   -0.032520   -0.061625
      0.000000  8.535452  5.690301     0.024788   -0.056633    0.061625
      5.690301  8.535452  5.690301    -0.024788    0.032520   -0.056748
      0.000000  0.000000  2.845151    -0.031160    0.003641    0.001705
      5.690301  0.000000  2.845151     0.031160    0.001235   -0.025818
      0.000000  5.690301  2.845151     0.108063   -0.003641    0.025818
      5.690301  5.690301  2.845151    -0.108063   -0.001235   -0.001705
      0.000000  0.000000  8.535452    -0.108063   -0.001235   -0.001705
      5.690301  0.000000  8.535452     0.108063   -0.003641    0.025818
      0.000000  5.690301  8.535452     0.031160    0.001235   -0.025818
      5.690301  5.690301  8.535452    -0.031160    0.003641    0.001705

  18 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.008616    0.188308    0.117457
      5.690301  0.000000  0.000000     0.008616   -0.092742   -0.032604
      0.000000  5.690301  0.000000    -0.072036   -0.188308    0.032604
      5.690301  5.690301  0.000000     0.072036    0.092742   -0.117457
      0.000000  0.000000  5.690301     0.072036    0.092742   -0.117457
      5.690301  0.000000  5.690301    -0.072036   -0.188308    0.032604
      0.000000  5.690301  5.690301     0.008616   -0.092742   -0.032604
      5.690301  5.690301  5.690301    -0.008616    0.188308    0.117457
      0.000000  2.845151  2.845151     0.078006    0.035756   -0.086210
      5.690301  2.845151  2.845151    -0.078006   -0.120610   -0.009356
      0.000000  8.535452  2.845151     0.016424   -0.035756    0.009356
      5.690301  8.535452  2.845151    -0.016424    0.120610    0.086210
      0.000000  2.845151  8.535452    -0.016424    0.120610    0.086210
      5.690301  2.845151  8.535452     0.016424   -0.035756    0.009356
      0.000000  8.535452  8.535452    -0.078006   -0.120610   -0.009356
      5.690301  8.535452  8.535452     0.078006    0.035756   -0.086210
      2.845151  0.000000  2.845151     0.003152    0.086363    0.078751
      8.535452  0.000000  2.845151    -0.003152    0.024781   -0.001900
      2.845151  5.690301  2.845151    -0.153214   -0.086363    0.001900
      8.535452  5.690301  2.845151     0.153214   -0.024781   -0.078751
      2.845151  0.000000  8.535452     0.153214   -0.024781   -0.078751
      8.535452  0.000000  8.535452    -0.153214   -0.086363    0.001900
      2.845151  5.690301  8.535452    -0.003152    0.024781   -0.001900
      8.535452  5.690301  8.535452     0.003152    0.086363    0.078751
      2.845151  2.845151  0.000000    -0.178951    0.006716    0.102787
      8.535452  2.845151  0.000000     0.178951    0.070136    0.008357
      2.845151  8.535452  0.000000     0.102098   -0.006716   -0.008357
      8.535452  8.535452  0.000000    -0.102098   -0.070136   -0.102787
      2.845151  2.845151  5.690301    -0.102098   -0.070136   -0.102787
      8.535452  2.845151  5.690301     0.102098   -0.006716   -0.008357
      2.845151  8.535452  5.690301     0.178951    0.070136    0.008357
      8.535452  8.535452  5.690301    -0.178951    0.006716    0.102787
      2.845151  2.845151  2.845151     0.121541    0.041802    0.004205
      8.535452  2.845151  2.845151    -0.121541    0.006043    0.049680
      2.845151  8.535452  2.845151    -0.036929   -0.041802   -0.049680
      8.535452  8.535452  2.845151     0.036929   -0.006043   -0.004205
      2.845151  2.845151  8.535452     0.036929   -0.006043   -0.004205
      8.535452  2.845151  8.535452    -0.036929   -0.041802   -0.049680
      2.845151  8.535452  8.535452    -0.121541    0.006043    0.049680
      8.535452  8.535452  8.535452     0.121541    0.041802    0.004205
      2.845151  0.000000  0.000000    -0.022417   -0.044304   -0.050544
      8.535452  0.000000  0.000000     0.022417   -0.009581    0.002700
      2.845151  5.690301  0.000000     0.065750    0.044304   -0.002700
      8.535452  5.690301  0.000000    -0.065750    0.009581    0.050544
      2.845151  0.000000  5.690301    -0.065750    0.009581    0.050544
      8.535452  0.000000  5.690301     0.065750    0.044304   -0.002700
      2.845151  5.690301  5.690301     0.022417   -0.009581    0.002700
      8.535452  5.690301  5.690301    -0.022417   -0.044304   -0.050544
      0.000000  2.845151  0.000000     0.005376   -0.065750   -0.073640
      5.690301  2.845151  0.000000    -0.005376    0.022417    0.010972
      0.000000  8.535452  0.000000     0.040099    0.065750   -0.010972
      5.690301  8.535452  0.000000    -0.040099   -0.022417    0.073640
      0.000000  2.845151  5.690301    -0.040099   -0.022417    0.073640
      5.690301  2.845151  5.690301     0.040099    0.065750   -0.010972
      0.000000  8.535452  5.690301    -0.005376    0.022417    0.010972
      5.690301  8.535452  5.690301     0.005376   -0.065750   -0.073640
      0.000000  0.000000  2.845151    -0.044502   -0.110569    0.000001
      5.690301  0.000000  2.845151     0.044502    0.047900   -0.043333
      0.000000  5.690301  2.845151    -0.008742    0.110569    0.043333
      5.690301  5.690301  2.845151     0.008742   -0.047900   -0.000001
      0.000000  0.000000  8.535452     0.008742   -0.047900   -0.000001
      5.690301  0.000000  8.535452    -0.008742    0.110569    0.043333
      0.000000  5.690301  8.535452     0.044502    0.047900   -0.043333
      5.690301  5.690301  8.535452    -0.044502   -0.110569    0.000001

  19 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.114670   -0.083760   -0.029752
      5.690301  0.000000  0.000000     0.114670   -0.185509   -0.136133
      0.000000  5.690301  0.000000     0.132373    0.083760    0.136133
      5.690301  5.690301  0.000000    -0.132373    0.185509    0.029752
      0.000000  0.000000  5.690301    -0.132373    0.185509    0.029752
      5.690301  0.000000  5.690301     0.132373    0.083760    0.136133
      0.000000  5.690301  5.690301     0.114670   -0.185509   -0.136133
      5.690301  5.690301  5.690301    -0.114670   -0.083760   -0.029752
      0.000000  2.845151  2.845151    -0.003986    0.111995    0.113628
      5.690301  2.845151  2.845151     0.003986    0.053890    0.155641
      0.000000  8.535452  2.845151    -0.008083   -0.111995   -0.155641
      5.690301  8.535452  2.845151     0.008083   -0.053890   -0.113628
      0.000000  2.845151  8.535452     0.008083   -0.053890   -0.113628
      5.690301  2.845151  8.535452    -0.008083   -0.111995   -0.155641
      0.000000  8.535452  8.535452     0.003986    0.053890    0.155641
      5.690301  8.535452  8.535452    -0.003986    0.111995    0.113628
      2.845151  0.000000  2.845151    -0.024138   -0.005434    0.007936
      8.535452  0.000000  2.845151     0.024138   -0.009531    0.025638
      2.845151  5.690301  2.845151    -0.082243    0.005434   -0.025638
      8.535452  5.690301  2.845151     0.082243    0.009531   -0.007936
      2.845151  0.000000  8.535452     0.082243    0.009531   -0.007936
      8.535452  0.000000  8.535452    -0.082243    0.005434   -0.025638
      2.845151  5.690301  8.535452     0.024138   -0.009531    0.025638
      8.535452  5.690301  8.535452    -0.024138   -0.005434    0.007936
      2.845151  2.845151  0.000000    -0.071881    0.140308   -0.013517
      8.535452  2.845151  0.000000     0.071881   -0.106735   -0.001448
      2.845151  8.535452  0.000000     0.029868   -0.140308    0.001448
      8.535452  8.535452  0.000000    -0.029868    0.106735    0.013517
      2.845151  2.845151  5.690301    -0.029868    0.106735    0.013517
      8.535452  2.845151  5.690301     0.029868   -0.140308    0.001448
      2.845151  8.535452  5.690301     0.071881   -0.106735   -0.001448
      8.535452  8.535452  5.690301    -0.071881    0.140308   -0.013517
      2.845151  2.845151  2.845151     0.058677   -0.116415   -0.070923
      8.535452  2.845151  2.845151    -0.058677    0.022880   -0.080904
      2.845151  8.535452  2.845151     0.001306    0.116415    0.080904
      8.535452  8.535452  2.845151    -0.001306   -0.022880    0.070923
      2.845151  2.845151  8.535452    -0.001306   -0.022880    0.070923
      8.535452  2.845151  8.535452     0.001306    0.116415    0.080904
      2.845151  8.535452  8.535452    -0.058677    0.022880   -0.080904
      8.535452  8.535452  8.535452     0.058677   -0.116415   -0.070923
      2.845151  0.000000  0.000000    -0.004537    0.074759    0.050170
      8.535452  0.000000  0.000000     0.004537    0.077069    0.043364
      2.845151  5.690301  0.000000     0.028226   -0.074759   -0.043364
      8.535452  5.690301  0.000000    -0.028226   -0.077069   -0.050170
      2.845151  0.000000  5.690301    -0.028226   -0.077069   -0.050170
      8.535452  0.000000  5.690301     0.028226   -0.074759   -0.043364
      2.845151  5.690301  5.690301     0.004537    0.077069    0.043364
      8.535452  5.690301  5.690301    -0.004537    0.074759    0.050170
      0.000000  2.845151  0.000000    -0.006146   -0.025847   -0.025772
      5.690301  2.845151  0.000000     0.006146    0.006916    0.034210
      0.000000  8.535452  0.000000    -0.003836    0.025847   -0.034210
      5.690301  8.535452  0.000000     0.003836   -0.006916    0.025772
      0.000000  2.845151  5.690301     0.003836   -0.006916    0.025772
      5.690301  2.845151  5.690301    -0.003836    0.025847   -0.034210
      0.000000  8.535452  5.690301     0.006146    0.006916    0.034210
      5.690301  8.535452  5.690301    -0.006146   -0.025847   -0.025772
      0.000000  0.000000  2.845151     0.073050   -0.024467    0.002379
      5.690301  0.000000  2.845151    -0.073050    0.032905   -0.021310
      0.000000  5.690301  2.845151    -0.066245    0.024467    0.021310
      5.690301  5.690301  2.845151     0.066245   -0.032905   -0.002379
      0.000000  0.000000  8.535452     0.066245   -0.032905   -0.002379
      5.690301  0.000000  8.535452    -0.066245    0.024467    0.021310
      0.000000  5.690301  8.535452    -0.073050    0.032905   -0.021310
      5.690301  5.690301  8.535452     0.073050   -0.024467    0.002379

  20 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.074844    0.017483    0.054064
      5.690301  0.000000  0.000000    -0.074844    0.053532   -0.132328
      0.000000  5.690301  0.000000     0.071871   -0.017483    0.132328
      5.690301  5.690301  0.000000    -0.071871   -0.053532   -0.054064
      0.000000  0.000000  5.690301    -0.071871   -0.053532   -0.054064
      5.690301  0.000000  5.690301     0.071871   -0.017483    0.132328
      0.000000  5.690301  5.690301    -0.074844    0.053532   -0.132328
      5.690301  5.690301  5.690301     0.074844    0.017483    0.054064
      0.000000  2.845151  2.845151     0.187947    0.023672    0.027949
      5.690301  2.845151  2.845151    -0.187947    0.054592   -0.098964
      0.000000  8.535452  2.845151     0.044274   -0.023672    0.098964
      5.690301  8.535452  2.845151    -0.044274   -0.054592   -0.027949
      0.000000  2.845151  8.535452    -0.044274   -0.054592   -0.027949
      5.690301  2.845151  8.535452     0.044274   -0.023672    0.098964
      0.000000  8.535452  8.535452    -0.187947    0.054592   -0.098964
      5.690301  8.535452  8.535452     0.187947    0.023672    0.027949
      2.845151  0.000000  2.845151    -0.108656    0.014369   -0.136814
      8.535452  0.000000  2.845151     0.108656   -0.129303    0.009901
      2.845151  5.690301  2.845151    -0.077736   -0.014369   -0.009901
      8.535452  5.690301  2.845151     0.077736    0.129303    0.136814
      2.845151  0.000000  8.535452     0.077736    0.129303    0.136814
      8.535452  0.000000  8.535452    -0.077736   -0.014369   -0.009901
      2.845151  5.690301  8.535452     0.108656   -0.129303    0.009901
      8.535452  5.690301  8.535452    -0.108656    0.014369   -0.136814
      2.845151  2.845151  0.000000     0.081481   -0.064943    0.058643
      8.535452  2.845151  0.000000    -0.081481   -0.061970   -0.173577
      2.845151  8.535452  0.000000     0.045432    0.064943    0.173577
      8.535452  8.535452  0.000000    -0.045432    0.061970   -0.058643
      2.845151  2.845151  5.690301    -0.045432    0.061970   -0.058643
      8.535452  2.845151  5.690301     0.045432    0.064943    0.173577
      2.845151  8.535452  5.690301    -0.081481   -0.061970   -0.173577
      8.535452  8.535452  5.690301     0.081481   -0.064943    0.058643
      2.845151  2.845151  2.845151     0.042385   -0.021226    0.061384
      8.535452  2.845151  2.845151    -0.042385   -0.022903   -0.021341
      2.845151  8.535452  2.845151     0.062711    0.021226    0.021341
      8.535452  8.535452  2.845151    -0.062711    0.022903   -0.061384
      2.845151  2.845151  8.535452    -0.062711    0.022903   -0.061384
      8.535452  2.845151  8.535452     0.062711    0.021226    0.021341
      2.845151  8.535452  8.535452    -0.042385   -0.022903   -0.021341
      8.535452  8.535452  8.535452     0.042385   -0.021226    0.061384
      2.845151  0.000000  0.000000    -0.027063   -0.060526   -0.043404
      8.535452  0.000000  0.000000     0.027063    0.020484    0.087533
      2.845151  5.690301  0.000000    -0.044497    0.060526   -0.087533
      8.535452  5.690301  0.000000     0.044497   -0.020484    0.043404
      2.845151  0.000000  5.690301     0.044497   -0.020484    0.043404
      8.535452  0.000000  5.690301    -0.044497    0.060526   -0.087533
      2.845151  5.690301  5.690301     0.027063    0.020484    0.087533
      8.535452  5.690301  5.690301    -0.027063   -0.060526   -0.043404
      0.000000  2.845151  0.000000    -0.081867    0.044497   -0.020146
      5.690301  2.845151  0.000000     0.081867    0.027063    0.084951
      0.000000  8.535452  0.000000    -0.000858   -0.044497   -0.084951
      5.690301  8.535452  0.000000     0.000858   -0.027063    0.020146
      0.000000  2.845151  5.690301     0.000858   -0.027063    0.020146
      5.690301  2.845151  5.690301    -0.000858   -0.044497   -0.084951
      0.000000  8.535452  5.690301     0.081867    0.027063    0.084951
      5.690301  8.535452  5.690301    -0.081867    0.044497   -0.020146
      0.000000  0.000000  2.845151    -0.066307    0.042566    0.000000
      5.690301  0.000000  2.845151     0.066307    0.022240    0.071560
      0.000000  5.690301  2.845151    -0.064630   -0.042566   -0.071560
      5.690301  5.690301  2.845151     0.064630   -0.022240    0.000000
      0.000000  0.000000  8.535452     0.064630   -0.022240    0.000000
      5.690301  0.000000  8.535452    -0.064630   -0.042566   -0.071560
      0.000000  5.690301  8.535452     0.066307    0.022240    0.071560
      5.690301  5.690301  8.535452    -0.066307    0.042566    0.000000

  21 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.093392   -0.094053    0.061883
      5.690301  0.000000  0.000000     0.093392    0.015486    0.089289
      0.000000  5.690301  0.000000    -0.039877    0.094053   -0.089289
      5.690301  5.690301  0.000000     0.039877   -0.015486   -0.061883
      0.000000  0.000000  5.690301     0.039877   -0.015486   -0.061883
      5.690301  0.000000  5.690301    -0.039877    0.094053   -0.089289
      0.000000  5.690301  5.690301     0.093392    0.015486    0.089289
      5.690301  5.690301  5.690301    -0.093392   -0.094053    0.061883
      0.000000  2.845151  2.845151     0.126242   -0.018456    0.054326
      5.690301  2.845151  2.845151    -0.126242   -0.132716    0.024240
      0.000000  8.535452  2.845151    -0.198916    0.018456   -0.024240
      5.690301  8.535452  2.845151     0.198916    0.132716   -0.054326
      0.000000  2.845151  8.535452     0.198916    0.132716   -0.054326
      5.690301  2.845151  8.535452    -0.198916    0.018456   -0.024240
      0.000000  8.535452  8.535452    -0.126242   -0.132716    0.024240
      5.690301  8.535452  8.535452     0.126242   -0.018456    0.054326
      2.845151  0.000000  2.845151     0.070833    0.143905    0.051413
      8.535452  0.000000  2.845151    -0.070833   -0.181254   -0.081856
      2.845151  5.690301  2.845151    -0.043427   -0.143905    0.081856
      8.535452  5.690301  2.845151     0.043427    0.181254   -0.051413
      2.845151  0.000000  8.535452     0.043427    0.181254   -0.051413
      8.535452  0.000000  8.535452    -0.043427   -0.143905    0.081856
      2.845151  5.690301  8.535452    -0.070833   -0.181254   -0.081856
      8.535452  5.690301  8.535452     0.070833    0.143905    0.051413
      2.845151  2.845151  0.000000     0.069812    0.011536   -0.055012
      8.535452  2.845151  0.000000    -0.069812   -0.041980    0.017662
      2.845151  8.535452  0.000000    -0.039727   -0.011536   -0.017662
      8.535452  8.535452  0.000000     0.039727    0.041980    0.055012
      2.845151  2.845151  5.690301     0.039727    0.041980    0.055012
      8.535452  2.845151  5.690301    -0.039727   -0.011536   -0.017662
      2.845151  8.535452  5.690301    -0.069812   -0.041980    0.017662
      8.535452  8.535452  5.690301     0.069812    0.011536   -0.055012
      2.845151  2.845151  2.845151    -0.038608    0.027532   -0.059722
      8.535452  2.845151  2.845151     0.038608    0.057706    0.015422
      2.845151  8.535452  2.845151     0.023155   -0.027532   -0.015422
      8.535452  8.535452  2.845151    -0.023155   -0.057706    0.059722
      2.845151  2.845151  8.535452    -0.023155   -0.057706    0.059722
      8.535452  2.845151  8.535452     0.023155   -0.027532   -0.015422
      2.845151  8.535452  8.535452     0.038608    0.057706    0.015422
      8.535452  8.535452  8.535452    -0.038608    0.027532   -0.059722
      2.845151  0.000000  0.000000    -0.040695   -0.069520   -0.022131
      8.535452  0.000000  0.000000     0.040695    0.113820   -0.063108
      2.845151  5.690301  0.000000     0.023731    0.069520    0.063108
      8.535452  5.690301  0.000000    -0.023731   -0.113820    0.022131
      2.845151  0.000000  5.690301    -0.023731   -0.113820    0.022131
      8.535452  0.000000  5.690301     0.023731    0.069520    0.063108
      2.845151  5.690301  5.690301     0.040695    0.113820   -0.063108
      8.535452  5.690301  5.690301    -0.040695   -0.069520   -0.022131
      0.000000  2.845151  0.000000    -0.054098   -0.023630    0.018256
      5.690301  2.845151  0.000000     0.054098    0.040795    0.002803
      0.000000  8.535452  0.000000     0.129242    0.023630   -0.002803
      5.690301  8.535452  0.000000    -0.129242   -0.040795   -0.018256
      0.000000  2.845151  5.690301    -0.129242   -0.040795   -0.018256
      5.690301  2.845151  5.690301     0.129242    0.023630   -0.002803
      0.000000  8.535452  5.690301     0.054098    0.040795    0.002803
      5.690301  8.535452  5.690301    -0.054098   -0.023630    0.018256
      0.000000  0.000000  2.845151     0.035576    0.041411    0.000101
      5.690301  0.000000  2.845151    -0.035576   -0.020352    0.017065
      0.000000  5.690301  2.845151     0.005401   -0.041411   -0.017065
      5.690301  5.690301  2.845151    -0.005401    0.020352   -0.000101
      0.000000  0.000000  8.535452    -0.005401    0.020352   -0.000101
      5.690301  0.000000  8.535452     0.005401   -0.041411   -0.017065
      0.000000  5.690301  8.535452    -0.035576   -0.020352    0.017065
      5.690301  5.690301  8.535452     0.035576    0.041411    0.000101

  22 f  =    5.859924 THz    36.818987 2PiTHz  195.466010 cm-1    24.234705 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.025304   -0.033495   -0.098211
      5.690301  0.000000  0.000000    -0.025304   -0.147934    0.035433
      0.000000  5.690301  0.000000    -0.152188    0.033495   -0.035433
      5.690301  5.690301  0.000000     0.152188    0.147934    0.098211
      0.000000  0.000000  5.690301     0.152188    0.147934    0.098211
      5.690301  0.000000  5.690301    -0.152188    0.033495   -0.035433
      0.000000  5.690301  5.690301    -0.025304   -0.147934    0.035433
      5.690301  5.690301  5.690301     0.025304   -0.033495   -0.098211
      0.000000  2.845151  2.845151     0.019802    0.064169    0.177675
      5.690301  2.845151  2.845151    -0.019802   -0.001391    0.003754
      0.000000  8.535452  2.845151     0.065910   -0.064169   -0.003754
      5.690301  8.535452  2.845151    -0.065910    0.001391   -0.177675
      0.000000  2.845151  8.535452    -0.065910    0.001391   -0.177675
      5.690301  2.845151  8.535452     0.065910   -0.064169   -0.003754
      0.000000  8.535452  8.535452    -0.019802   -0.001391    0.003754
      5.690301  8.535452  8.535452     0.019802    0.064169    0.177675
      2.845151  0.000000  2.845151     0.099602   -0.021731   -0.023519
      8.535452  0.000000  2.845151    -0.099602    0.024377   -0.150403
      2.845151  5.690301  2.845151     0.034042    0.021731    0.150403
      8.535452  5.690301  2.845151    -0.034042   -0.024377    0.023519
      2.845151  0.000000  8.535452    -0.034042   -0.024377    0.023519
      8.535452  0.000000  8.535452     0.034042    0.021731    0.150403
      2.845151  5.690301  8.535452    -0.099602    0.024377   -0.150403
      8.535452  5.690301  8.535452     0.099602   -0.021731   -0.023519
      2.845151  2.845151  0.000000     0.029741   -0.175706    0.044179
      8.535452  2.845151  0.000000    -0.029741    0.001785   -0.041534
      2.845151  8.535452  0.000000     0.144180    0.175706    0.041534
      8.535452  8.535452  0.000000    -0.144180   -0.001785   -0.044179
      2.845151  2.845151  5.690301    -0.144180   -0.001785   -0.044179
      8.535452  2.845151  5.690301     0.144180    0.175706    0.041534
      2.845151  8.535452  5.690301    -0.029741    0.001785   -0.041534
      8.535452  8.535452  5.690301     0.029741   -0.175706    0.044179
      2.845151  2.845151  2.845151    -0.005414    0.032341   -0.086921
      8.535452  2.845151  2.845151     0.005414   -0.067738   -0.015378
      2.845151  8.535452  2.845151    -0.069940   -0.032341    0.015378
      8.535452  8.535452  2.845151     0.069940    0.067738    0.086921
      2.845151  2.845151  8.535452     0.069940    0.067738    0.086921
      8.535452  2.845151  8.535452    -0.069940   -0.032341    0.015378
      2.845151  8.535452  8.535452     0.005414   -0.067738   -0.015378
      8.535452  8.535452  8.535452    -0.005414    0.032341   -0.086921
      2.845151  0.000000  0.000000    -0.067516    0.064148   -0.006466
      8.535452  0.000000  0.000000     0.067516    0.038150    0.041863
      2.845151  5.690301  0.000000    -0.030550   -0.064148   -0.041863
      8.535452  5.690301  0.000000     0.030550   -0.038150    0.006466
      2.845151  0.000000  5.690301     0.030550   -0.038150    0.006466
      8.535452  0.000000  5.690301    -0.030550   -0.064148   -0.041863
      2.845151  5.690301  5.690301     0.067516    0.038150    0.041863
      8.535452  5.690301  5.690301    -0.067516    0.064148   -0.006466
      0.000000  2.845151  0.000000     0.048771    0.030550    0.036932
      5.690301  2.845151  0.000000    -0.048771    0.067516   -0.038423
      0.000000  8.535452  0.000000     0.022773   -0.030550    0.038423
      5.690301  8.535452  0.000000    -0.022773   -0.067516   -0.036932
      0.000000  2.845151  5.690301    -0.022773   -0.067516   -0.036932
      5.690301  2.845151  5.690301     0.022773   -0.030550    0.038423
      0.000000  8.535452  5.690301    -0.048771    0.067516   -0.038423
      5.690301  8.535452  5.690301     0.048771    0.030550    0.036932
      0.000000  0.000000  2.845151    -0.074204   -0.033009    0.000000
      5.690301  0.000000  2.845151     0.074204    0.031517    0.098065
      0.000000  5.690301  2.845151     0.025875    0.033009   -0.098065
      5.690301  5.690301  2.845151    -0.025875   -0.031517    0.000000
      0.000000  0.000000  8.535452    -0.025875   -0.031517    0.000000
      5.690301  0.000000  8.535452     0.025875    0.033009   -0.098065
      0.000000  5.690301  8.535452     0.074204    0.031517    0.098065
      5.690301  5.690301  8.535452    -0.074204   -0.033009    0.000000

  23 f  =    5.185234 THz    32.579786 2PiTHz  172.960785 cm-1    21.444412 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.080361   -0.078839    0.000000
      5.690301  0.000000  0.000000    -0.080361   -0.078839    0.000000
      0.000000  5.690301  0.000000    -0.080361   -0.078839    0.000000
      5.690301  5.690301  0.000000    -0.080361   -0.078839    0.000000
      0.000000  0.000000  5.690301    -0.080361   -0.078839    0.000000
      5.690301  0.000000  5.690301    -0.080361   -0.078839    0.000000
      0.000000  5.690301  5.690301    -0.080361   -0.078839    0.000000
      5.690301  5.690301  5.690301    -0.080361   -0.078839    0.000000
      0.000000  2.845151  2.845151    -0.080361    0.078839    0.000000
      5.690301  2.845151  2.845151    -0.080361    0.078839    0.000000
      0.000000  8.535452  2.845151    -0.080361    0.078839    0.000000
      5.690301  8.535452  2.845151    -0.080361    0.078839    0.000000
      0.000000  2.845151  8.535452    -0.080361    0.078839    0.000000
      5.690301  2.845151  8.535452    -0.080361    0.078839    0.000000
      0.000000  8.535452  8.535452    -0.080361    0.078839    0.000000
      5.690301  8.535452  8.535452    -0.080361    0.078839    0.000000
      2.845151  0.000000  2.845151     0.080361   -0.078839    0.000000
      8.535452  0.000000  2.845151     0.080361   -0.078839    0.000000
      2.845151  5.690301  2.845151     0.080361   -0.078839    0.000000
      8.535452  5.690301  2.845151     0.080361   -0.078839    0.000000
      2.845151  0.000000  8.535452     0.080361   -0.078839    0.000000
      8.535452  0.000000  8.535452     0.080361   -0.078839    0.000000
      2.845151  5.690301  8.535452     0.080361   -0.078839    0.000000
      8.535452  5.690301  8.535452     0.080361   -0.078839    0.000000
      2.845151  2.845151  0.000000     0.080361    0.078839    0.000000
      8.535452  2.845151  0.000000     0.080361    0.078839    0.000000
      2.845151  8.535452  0.000000     0.080361    0.078839    0.000000
      8.535452  8.535452  0.000000     0.080361    0.078839    0.000000
      2.845151  2.845151  5.690301     0.080361    0.078839    0.000000
      8.535452  2.845151  5.690301     0.080361    0.078839    0.000000
      2.845151  8.535452  5.690301     0.080361    0.078839    0.000000
      8.535452  8.535452  5.690301     0.080361    0.078839    0.000000
      2.845151  2.845151  2.845151     0.097292    0.095450    0.000000
      8.535452  2.845151  2.845151     0.097292    0.095450    0.000000
      2.845151  8.535452  2.845151     0.097292    0.095450    0.000000
      8.535452  8.535452  2.845151     0.097292    0.095450    0.000000
      2.845151  2.845151  8.535452     0.097292    0.095450    0.000000
      8.535452  2.845151  8.535452     0.097292    0.095450    0.000000
      2.845151  8.535452  8.535452     0.097292    0.095450    0.000000
      8.535452  8.535452  8.535452     0.097292    0.095450    0.000000
      2.845151  0.000000  0.000000     0.097292   -0.095450    0.000000
      8.535452  0.000000  0.000000     0.097292   -0.095450    0.000000
      2.845151  5.690301  0.000000     0.097292   -0.095450    0.000000
      8.535452  5.690301  0.000000     0.097292   -0.095450    0.000000
      2.845151  0.000000  5.690301     0.097292   -0.095450    0.000000
      8.535452  0.000000  5.690301     0.097292   -0.095450    0.000000
      2.845151  5.690301  5.690301     0.097292   -0.095450    0.000000
      8.535452  5.690301  5.690301     0.097292   -0.095450    0.000000
      0.000000  2.845151  0.000000    -0.097292    0.095450    0.000000
      5.690301  2.845151  0.000000    -0.097292    0.095450    0.000000
      0.000000  8.535452  0.000000    -0.097292    0.095450    0.000000
      5.690301  8.535452  0.000000    -0.097292    0.095450    0.000000
      0.000000  2.845151  5.690301    -0.097292    0.095450    0.000000
      5.690301  2.845151  5.690301    -0.097292    0.095450    0.000000
      0.000000  8.535452  5.690301    -0.097292    0.095450    0.000000
      5.690301  8.535452  5.690301    -0.097292    0.095450    0.000000
      0.000000  0.000000  2.845151    -0.097292   -0.095450    0.000000
      5.690301  0.000000  2.845151    -0.097292   -0.095450    0.000000
      0.000000  5.690301  2.845151    -0.097292   -0.095450    0.000000
      5.690301  5.690301  2.845151    -0.097292   -0.095450    0.000000
      0.000000  0.000000  8.535452    -0.097292   -0.095450    0.000000
      5.690301  0.000000  8.535452    -0.097292   -0.095450    0.000000
      0.000000  5.690301  8.535452    -0.097292   -0.095450    0.000000
      5.690301  5.690301  8.535452    -0.097292   -0.095450    0.000000

  24 f  =    5.185234 THz    32.579786 2PiTHz  172.960785 cm-1    21.444412 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.112577
      5.690301  0.000000  0.000000     0.000000    0.000000    0.112577
      0.000000  5.690301  0.000000     0.000000    0.000000    0.112577
      5.690301  5.690301  0.000000     0.000000    0.000000    0.112577
      0.000000  0.000000  5.690301     0.000000    0.000000    0.112577
      5.690301  0.000000  5.690301     0.000000    0.000000    0.112577
      0.000000  5.690301  5.690301     0.000000    0.000000    0.112577
      5.690301  5.690301  5.690301     0.000000    0.000000    0.112577
      0.000000  2.845151  2.845151     0.000000    0.000000   -0.112577
      5.690301  2.845151  2.845151     0.000000    0.000000   -0.112577
      0.000000  8.535452  2.845151     0.000000    0.000000   -0.112577
      5.690301  8.535452  2.845151     0.000000    0.000000   -0.112577
      0.000000  2.845151  8.535452     0.000000    0.000000   -0.112577
      5.690301  2.845151  8.535452     0.000000    0.000000   -0.112577
      0.000000  8.535452  8.535452     0.000000    0.000000   -0.112577
      5.690301  8.535452  8.535452     0.000000    0.000000   -0.112577
      2.845151  0.000000  2.845151     0.000000    0.000000   -0.112577
      8.535452  0.000000  2.845151     0.000000    0.000000   -0.112577
      2.845151  5.690301  2.845151     0.000000    0.000000   -0.112577
      8.535452  5.690301  2.845151     0.000000    0.000000   -0.112577
      2.845151  0.000000  8.535452     0.000000    0.000000   -0.112577
      8.535452  0.000000  8.535452     0.000000    0.000000   -0.112577
      2.845151  5.690301  8.535452     0.000000    0.000000   -0.112577
      8.535452  5.690301  8.535452     0.000000    0.000000   -0.112577
      2.845151  2.845151  0.000000     0.000000    0.000000    0.112577
      8.535452  2.845151  0.000000     0.000000    0.000000    0.112577
      2.845151  8.535452  0.000000     0.000000    0.000000    0.112577
      8.535452  8.535452  0.000000     0.000000    0.000000    0.112577
      2.845151  2.845151  5.690301     0.000000    0.000000    0.112577
      8.535452  2.845151  5.690301     0.000000    0.000000    0.112577
      2.845151  8.535452  5.690301     0.000000    0.000000    0.112577
      8.535452  8.535452  5.690301     0.000000    0.000000    0.112577
      2.845151  2.845151  2.845151     0.000000    0.000000   -0.136296
      8.535452  2.845151  2.845151     0.000000    0.000000   -0.136296
      2.845151  8.535452  2.845151     0.000000    0.000000   -0.136296
      8.535452  8.535452  2.845151     0.000000    0.000000   -0.136296
      2.845151  2.845151  8.535452     0.000000    0.000000   -0.136296
      8.535452  2.845151  8.535452     0.000000    0.000000   -0.136296
      2.845151  8.535452  8.535452     0.000000    0.000000   -0.136296
      8.535452  8.535452  8.535452     0.000000    0.000000   -0.136296
      2.845151  0.000000  0.000000     0.000000    0.000000    0.136296
      8.535452  0.000000  0.000000     0.000000    0.000000    0.136296
      2.845151  5.690301  0.000000     0.000000    0.000000    0.136296
      8.535452  5.690301  0.000000     0.000000    0.000000    0.136296
      2.845151  0.000000  5.690301     0.000000    0.000000    0.136296
      8.535452  0.000000  5.690301     0.000000    0.000000    0.136296
      2.845151  5.690301  5.690301     0.000000    0.000000    0.136296
      8.535452  5.690301  5.690301     0.000000    0.000000    0.136296
      0.000000  2.845151  0.000000     0.000000    0.000000    0.136296
      5.690301  2.845151  0.000000     0.000000    0.000000    0.136296
      0.000000  8.535452  0.000000     0.000000    0.000000    0.136296
      5.690301  8.535452  0.000000     0.000000    0.000000    0.136296
      0.000000  2.845151  5.690301     0.000000    0.000000    0.136296
      5.690301  2.845151  5.690301     0.000000    0.000000    0.136296
      0.000000  8.535452  5.690301     0.000000    0.000000    0.136296
      5.690301  8.535452  5.690301     0.000000    0.000000    0.136296
      0.000000  0.000000  2.845151     0.000000    0.000000   -0.136296
      5.690301  0.000000  2.845151     0.000000    0.000000   -0.136296
      0.000000  5.690301  2.845151     0.000000    0.000000   -0.136296
      5.690301  5.690301  2.845151     0.000000    0.000000   -0.136296
      0.000000  0.000000  8.535452     0.000000    0.000000   -0.136296
      5.690301  0.000000  8.535452     0.000000    0.000000   -0.136296
      0.000000  5.690301  8.535452     0.000000    0.000000   -0.136296
      5.690301  5.690301  8.535452     0.000000    0.000000   -0.136296

  25 f  =    5.185234 THz    32.579786 2PiTHz  172.960785 cm-1    21.444412 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.078839   -0.080361    0.000000
      5.690301  0.000000  0.000000     0.078839   -0.080361    0.000000
      0.000000  5.690301  0.000000     0.078839   -0.080361    0.000000
      5.690301  5.690301  0.000000     0.078839   -0.080361    0.000000
      0.000000  0.000000  5.690301     0.078839   -0.080361    0.000000
      5.690301  0.000000  5.690301     0.078839   -0.080361    0.000000
      0.000000  5.690301  5.690301     0.078839   -0.080361    0.000000
      5.690301  5.690301  5.690301     0.078839   -0.080361    0.000000
      0.000000  2.845151  2.845151     0.078839    0.080361    0.000000
      5.690301  2.845151  2.845151     0.078839    0.080361    0.000000
      0.000000  8.535452  2.845151     0.078839    0.080361    0.000000
      5.690301  8.535452  2.845151     0.078839    0.080361    0.000000
      0.000000  2.845151  8.535452     0.078839    0.080361    0.000000
      5.690301  2.845151  8.535452     0.078839    0.080361    0.000000
      0.000000  8.535452  8.535452     0.078839    0.080361    0.000000
      5.690301  8.535452  8.535452     0.078839    0.080361    0.000000
      2.845151  0.000000  2.845151    -0.078839   -0.080361    0.000000
      8.535452  0.000000  2.845151    -0.078839   -0.080361    0.000000
      2.845151  5.690301  2.845151    -0.078839   -0.080361    0.000000
      8.535452  5.690301  2.845151    -0.078839   -0.080361    0.000000
      2.845151  0.000000  8.535452    -0.078839   -0.080361    0.000000
      8.535452  0.000000  8.535452    -0.078839   -0.080361    0.000000
      2.845151  5.690301  8.535452    -0.078839   -0.080361    0.000000
      8.535452  5.690301  8.535452    -0.078839   -0.080361    0.000000
      2.845151  2.845151  0.000000    -0.078839    0.080361    0.000000
      8.535452  2.845151  0.000000    -0.078839    0.080361    0.000000
      2.845151  8.535452  0.000000    -0.078839    0.080361    0.000000
      8.535452  8.535452  0.000000    -0.078839    0.080361    0.000000
      2.845151  2.845151  5.690301    -0.078839    0.080361    0.000000
      8.535452  2.845151  5.690301    -0.078839    0.080361    0.000000
      2.845151  8.535452  5.690301    -0.078839    0.080361    0.000000
      8.535452  8.535452  5.690301    -0.078839    0.080361    0.000000
      2.845151  2.845151  2.845151    -0.095450    0.097292    0.000000
      8.535452  2.845151  2.845151    -0.095450    0.097292    0.000000
      2.845151  8.535452  2.845151    -0.095450    0.097292    0.000000
      8.535452  8.535452  2.845151    -0.095450    0.097292    0.000000
      2.845151  2.845151  8.535452    -0.095450    0.097292    0.000000
      8.535452  2.845151  8.535452    -0.095450    0.097292    0.000000
      2.845151  8.535452  8.535452    -0.095450    0.097292    0.000000
      8.535452  8.535452  8.535452    -0.095450    0.097292    0.000000
      2.845151  0.000000  0.000000    -0.095450   -0.097292    0.000000
      8.535452  0.000000  0.000000    -0.095450   -0.097292    0.000000
      2.845151  5.690301  0.000000    -0.095450   -0.097292    0.000000
      8.535452  5.690301  0.000000    -0.095450   -0.097292    0.000000
      2.845151  0.000000  5.690301    -0.095450   -0.097292    0.000000
      8.535452  0.000000  5.690301    -0.095450   -0.097292    0.000000
      2.845151  5.690301  5.690301    -0.095450   -0.097292    0.000000
      8.535452  5.690301  5.690301    -0.095450   -0.097292    0.000000
      0.000000  2.845151  0.000000     0.095450    0.097292    0.000000
      5.690301  2.845151  0.000000     0.095450    0.097292    0.000000
      0.000000  8.535452  0.000000     0.095450    0.097292    0.000000
      5.690301  8.535452  0.000000     0.095450    0.097292    0.000000
      0.000000  2.845151  5.690301     0.095450    0.097292    0.000000
      5.690301  2.845151  5.690301     0.095450    0.097292    0.000000
      0.000000  8.535452  5.690301     0.095450    0.097292    0.000000
      5.690301  8.535452  5.690301     0.095450    0.097292    0.000000
      0.000000  0.000000  2.845151     0.095450   -0.097292    0.000000
      5.690301  0.000000  2.845151     0.095450   -0.097292    0.000000
      0.000000  5.690301  2.845151     0.095450   -0.097292    0.000000
      5.690301  5.690301  2.845151     0.095450   -0.097292    0.000000
      0.000000  0.000000  8.535452     0.095450   -0.097292    0.000000
      5.690301  0.000000  8.535452     0.095450   -0.097292    0.000000
      0.000000  5.690301  8.535452     0.095450   -0.097292    0.000000
      5.690301  5.690301  8.535452     0.095450   -0.097292    0.000000

  26 f  =    5.023350 THz    31.562638 2PiTHz  167.560908 cm-1    20.774912 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151     0.005453   -0.108262    0.155175
      8.535452  2.845151  2.845151    -0.005453    0.108262   -0.155175
      2.845151  8.535452  2.845151    -0.005453    0.108262   -0.155175
      8.535452  8.535452  2.845151     0.005453   -0.108262    0.155175
      2.845151  2.845151  8.535452    -0.005453    0.108262   -0.155175
      8.535452  2.845151  8.535452     0.005453   -0.108262    0.155175
      2.845151  8.535452  8.535452     0.005453   -0.108262    0.155175
      8.535452  8.535452  8.535452    -0.005453    0.108262   -0.155175
      2.845151  0.000000  0.000000     0.076400   -0.155175    0.108262
      8.535452  0.000000  0.000000    -0.076400    0.155175   -0.108262
      2.845151  5.690301  0.000000    -0.076400    0.155175   -0.108262
      8.535452  5.690301  0.000000     0.076400   -0.155175    0.108262
      2.845151  0.000000  5.690301    -0.076400    0.155175   -0.108262
      8.535452  0.000000  5.690301     0.076400   -0.155175    0.108262
      2.845151  5.690301  5.690301     0.076400   -0.155175    0.108262
      8.535452  5.690301  5.690301    -0.076400    0.155175   -0.108262
      0.000000  2.845151  0.000000    -0.155175    0.076400   -0.005453
      5.690301  2.845151  0.000000     0.155175   -0.076400    0.005453
      0.000000  8.535452  0.000000     0.155175   -0.076400    0.005453
      5.690301  8.535452  0.000000    -0.155175    0.076400   -0.005453
      0.000000  2.845151  5.690301     0.155175   -0.076400    0.005453
      5.690301  2.845151  5.690301    -0.155175    0.076400   -0.005453
      0.000000  8.535452  5.690301    -0.155175    0.076400   -0.005453
      5.690301  8.535452  5.690301     0.155175   -0.076400    0.005453
      0.000000  0.000000  2.845151     0.108262   -0.005453    0.076400
      5.690301  0.000000  2.845151    -0.108262    0.005453   -0.076400
      0.000000  5.690301  2.845151    -0.108262    0.005453   -0.076400
      5.690301  5.690301  2.845151     0.108262   -0.005453    0.076400
      0.000000  0.000000  8.535452    -0.108262    0.005453   -0.076400
      5.690301  0.000000  8.535452     0.108262   -0.005453    0.076400
      0.000000  5.690301  8.535452     0.108262   -0.005453    0.076400
      5.690301  5.690301  8.535452    -0.108262    0.005453   -0.076400

  27 f  =    5.023350 THz    31.562638 2PiTHz  167.560908 cm-1    20.774912 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151    -0.079260   -0.046311    0.055914
      8.535452  2.845151  2.845151     0.079260    0.046311   -0.055914
      2.845151  8.535452  2.845151     0.079260    0.046311   -0.055914
      8.535452  8.535452  2.845151    -0.079260   -0.046311    0.055914
      2.845151  2.845151  8.535452     0.079260    0.046311   -0.055914
      8.535452  2.845151  8.535452    -0.079260   -0.046311    0.055914
      2.845151  8.535452  8.535452    -0.079260   -0.046311    0.055914
      8.535452  8.535452  8.535452     0.079260    0.046311   -0.055914
      2.845151  0.000000  0.000000    -0.173533   -0.055914    0.046311
      8.535452  0.000000  0.000000     0.173533    0.055914   -0.046311
      2.845151  5.690301  0.000000     0.173533    0.055914   -0.046311
      8.535452  5.690301  0.000000    -0.173533   -0.055914    0.046311
      2.845151  0.000000  5.690301     0.173533    0.055914   -0.046311
      8.535452  0.000000  5.690301    -0.173533   -0.055914    0.046311
      2.845151  5.690301  5.690301    -0.173533   -0.055914    0.046311
      8.535452  5.690301  5.690301     0.173533    0.055914   -0.046311
      0.000000  2.845151  0.000000    -0.055914   -0.173533    0.079260
      5.690301  2.845151  0.000000     0.055914    0.173533   -0.079260
      0.000000  8.535452  0.000000     0.055914    0.173533   -0.079260
      5.690301  8.535452  0.000000    -0.055914   -0.173533    0.079260
      0.000000  2.845151  5.690301     0.055914    0.173533   -0.079260
      5.690301  2.845151  5.690301    -0.055914   -0.173533    0.079260
      0.000000  8.535452  5.690301    -0.055914   -0.173533    0.079260
      5.690301  8.535452  5.690301     0.055914    0.173533   -0.079260
      0.000000  0.000000  2.845151     0.046311    0.079260   -0.173533
      5.690301  0.000000  2.845151    -0.046311   -0.079260    0.173533
      0.000000  5.690301  2.845151    -0.046311   -0.079260    0.173533
      5.690301  5.690301  2.845151     0.046311    0.079260   -0.173533
      0.000000  0.000000  8.535452    -0.046311   -0.079260    0.173533
      5.690301  0.000000  8.535452     0.046311    0.079260   -0.173533
      0.000000  5.690301  8.535452     0.046311    0.079260   -0.173533
      5.690301  5.690301  8.535452    -0.046311   -0.079260    0.173533

  28 f  =    5.023350 THz    31.562638 2PiTHz  167.560908 cm-1    20.774912 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151     0.152209   -0.110683   -0.054274
      8.535452  2.845151  2.845151    -0.152209    0.110683    0.054274
      2.845151  8.535452  2.845151    -0.152209    0.110683    0.054274
      8.535452  8.535452  2.845151     0.152209   -0.110683   -0.054274
      2.845151  2.845151  8.535452    -0.152209    0.110683    0.054274
      8.535452  2.845151  8.535452     0.152209   -0.110683   -0.054274
      2.845151  8.535452  8.535452     0.152209   -0.110683   -0.054274
      8.535452  8.535452  8.535452    -0.152209    0.110683    0.054274
      2.845151  0.000000  0.000000    -0.057470    0.054274    0.110683
      8.535452  0.000000  0.000000     0.057470   -0.054274   -0.110683
      2.845151  5.690301  0.000000     0.057470   -0.054274   -0.110683
      8.535452  5.690301  0.000000    -0.057470    0.054274    0.110683
      2.845151  0.000000  5.690301     0.057470   -0.054274   -0.110683
      8.535452  0.000000  5.690301    -0.057470    0.054274    0.110683
      2.845151  5.690301  5.690301    -0.057470    0.054274    0.110683
      8.535452  5.690301  5.690301     0.057470   -0.054274   -0.110683
      0.000000  2.845151  0.000000     0.054274   -0.057470   -0.152209
      5.690301  2.845151  0.000000    -0.054274    0.057470    0.152209
      0.000000  8.535452  0.000000    -0.054274    0.057470    0.152209
      5.690301  8.535452  0.000000     0.054274   -0.057470   -0.152209
      0.000000  2.845151  5.690301    -0.054274    0.057470    0.152209
      5.690301  2.845151  5.690301     0.054274   -0.057470   -0.152209
      0.000000  8.535452  5.690301     0.054274   -0.057470   -0.152209
      5.690301  8.535452  5.690301    -0.054274    0.057470    0.152209
      0.000000  0.000000  2.845151     0.110683   -0.152209   -0.057470
      5.690301  0.000000  2.845151    -0.110683    0.152209    0.057470
      0.000000  5.690301  2.845151    -0.110683    0.152209    0.057470
      5.690301  5.690301  2.845151     0.110683   -0.152209   -0.057470
      0.000000  0.000000  8.535452    -0.110683    0.152209    0.057470
      5.690301  0.000000  8.535452     0.110683   -0.152209   -0.057470
      0.000000  5.690301  8.535452     0.110683   -0.152209   -0.057470
      5.690301  5.690301  8.535452    -0.110683    0.152209    0.057470

  29 f  =    5.023350 THz    31.562638 2PiTHz  167.560908 cm-1    20.774912 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151    -0.110396   -0.124703   -0.107309
      8.535452  2.845151  2.845151     0.110396    0.124703    0.107309
      2.845151  8.535452  2.845151     0.110396    0.124703    0.107309
      8.535452  8.535452  2.845151    -0.110396   -0.124703   -0.107309
      2.845151  2.845151  8.535452     0.110396    0.124703    0.107309
      8.535452  2.845151  8.535452    -0.110396   -0.124703   -0.107309
      2.845151  8.535452  8.535452    -0.110396   -0.124703   -0.107309
      8.535452  8.535452  8.535452     0.110396    0.124703    0.107309
      2.845151  0.000000  0.000000     0.049126    0.107309    0.124703
      8.535452  0.000000  0.000000    -0.049126   -0.107309   -0.124703
      2.845151  5.690301  0.000000    -0.049126   -0.107309   -0.124703
      8.535452  5.690301  0.000000     0.049126    0.107309    0.124703
      2.845151  0.000000  5.690301    -0.049126   -0.107309   -0.124703
      8.535452  0.000000  5.690301     0.049126    0.107309    0.124703
      2.845151  5.690301  5.690301     0.049126    0.107309    0.124703
      8.535452  5.690301  5.690301    -0.049126   -0.107309   -0.124703
      0.000000  2.845151  0.000000     0.107309    0.049126    0.110396
      5.690301  2.845151  0.000000    -0.107309   -0.049126   -0.110396
      0.000000  8.535452  0.000000    -0.107309   -0.049126   -0.110396
      5.690301  8.535452  0.000000     0.107309    0.049126    0.110396
      0.000000  2.845151  5.690301    -0.107309   -0.049126   -0.110396
      5.690301  2.845151  5.690301     0.107309    0.049126    0.110396
      0.000000  8.535452  5.690301     0.107309    0.049126    0.110396
      5.690301  8.535452  5.690301    -0.107309   -0.049126   -0.110396
      0.000000  0.000000  2.845151     0.124703    0.110396    0.049126
      5.690301  0.000000  2.845151    -0.124703   -0.110396   -0.049126
      0.000000  5.690301  2.845151    -0.124703   -0.110396   -0.049126
      5.690301  5.690301  2.845151     0.124703    0.110396    0.049126
      0.000000  0.000000  8.535452    -0.124703   -0.110396   -0.049126
      5.690301  0.000000  8.535452     0.124703    0.110396    0.049126
      0.000000  5.690301  8.535452     0.124703    0.110396    0.049126
      5.690301  5.690301  8.535452    -0.124703   -0.110396   -0.049126

  30 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.006599    0.000561   -0.246665
      5.690301  0.000000  0.000000     0.006599    0.000390    0.002825
      0.000000  5.690301  0.000000    -0.001261    0.000561   -0.002825
      5.690301  5.690301  0.000000    -0.001261    0.000390    0.246665
      0.000000  0.000000  5.690301     0.001261   -0.000390   -0.246665
      5.690301  0.000000  5.690301     0.001261   -0.000561    0.002825
      0.000000  5.690301  5.690301    -0.006599   -0.000390   -0.002825
      5.690301  5.690301  5.690301    -0.006599   -0.000561    0.246665
      0.000000  2.845151  2.845151     0.005353   -0.002804    0.124350
      5.690301  2.845151  2.845151     0.005353   -0.002632   -0.125140
      0.000000  8.535452  2.845151     0.003435   -0.002804    0.125140
      5.690301  8.535452  2.845151     0.003435   -0.002632   -0.124350
      0.000000  2.845151  8.535452    -0.003435    0.002632    0.124350
      5.690301  2.845151  8.535452    -0.003435    0.002804   -0.125140
      0.000000  8.535452  8.535452    -0.005353    0.002632    0.125140
      5.690301  8.535452  8.535452    -0.005353    0.002804   -0.124350
      2.845151  0.000000  2.845151    -0.008324    0.003909    0.121249
      8.535452  0.000000  2.845151    -0.008324    0.001527    0.122591
      2.845151  5.690301  2.845151    -0.000464    0.003909   -0.122591
      8.535452  5.690301  2.845151    -0.000464    0.001527   -0.121249
      2.845151  0.000000  8.535452     0.000464   -0.001527    0.121249
      8.535452  0.000000  8.535452     0.000464   -0.003909    0.122591
      2.845151  5.690301  8.535452     0.008324   -0.001527   -0.122591
      8.535452  5.690301  8.535452     0.008324   -0.003909   -0.121249
      2.845151  2.845151  0.000000    -0.003628   -0.001667    0.001066
      8.535452  2.845151  0.000000    -0.003628    0.000716   -0.000276
      2.845151  8.535452  0.000000    -0.001710   -0.001667    0.000276
      8.535452  8.535452  0.000000    -0.001710    0.000716   -0.001066
      2.845151  2.845151  5.690301     0.001710   -0.000716    0.001066
      8.535452  2.845151  5.690301     0.001710    0.001667   -0.000276
      2.845151  8.535452  5.690301     0.003628   -0.000716    0.000276
      8.535452  8.535452  5.690301     0.003628    0.001667   -0.001066
      2.845151  2.845151  2.845151    -0.005487   -0.004007   -0.001093
      8.535452  2.845151  2.845151    -0.005487   -0.001565    0.000283
      2.845151  8.535452  2.845151    -0.003521   -0.004007   -0.000283
      8.535452  8.535452  2.845151    -0.003521   -0.001565    0.001093
      2.845151  2.845151  8.535452     0.003521    0.001565   -0.001093
      8.535452  2.845151  8.535452     0.003521    0.004007    0.000283
      2.845151  8.535452  8.535452     0.005487    0.001565   -0.000283
      8.535452  8.535452  8.535452     0.005487    0.004007    0.001093
      2.845151  0.000000  0.000000    -0.006764    0.001708   -0.124280
      8.535452  0.000000  0.000000    -0.006764   -0.000733   -0.125657
      2.845151  5.690301  0.000000     0.001292    0.001708    0.125657
      8.535452  5.690301  0.000000     0.001292   -0.000733    0.124280
      2.845151  0.000000  5.690301    -0.001292    0.000733   -0.124280
      8.535452  0.000000  5.690301    -0.001292   -0.001708   -0.125657
      2.845151  5.690301  5.690301     0.006764    0.000733    0.125657
      8.535452  5.690301  5.690301     0.006764   -0.001708    0.124280
      0.000000  2.845151  0.000000     0.003719   -0.000575   -0.127460
      5.690301  2.845151  0.000000     0.003719   -0.000400    0.128270
      0.000000  8.535452  0.000000     0.001753   -0.000575   -0.128270
      5.690301  8.535452  0.000000     0.001753   -0.000400    0.127460
      0.000000  2.845151  5.690301    -0.001753    0.000400   -0.127460
      5.690301  2.845151  5.690301    -0.001753    0.000575    0.128270
      0.000000  8.535452  5.690301    -0.003719    0.000400   -0.128270
      5.690301  8.535452  5.690301    -0.003719    0.000575    0.127460
      0.000000  0.000000  2.845151     0.008532    0.002874    0.252833
      5.690301  0.000000  2.845151     0.008532    0.002698   -0.002896
      0.000000  5.690301  2.845151     0.000476    0.002874    0.002896
      5.690301  5.690301  2.845151     0.000476    0.002698   -0.252833
      0.000000  0.000000  8.535452    -0.000476   -0.002698    0.252833
      5.690301  0.000000  8.535452    -0.000476   -0.002874   -0.002896
      0.000000  5.690301  8.535452    -0.008532   -0.002698    0.002896
      5.690301  5.690301  8.535452    -0.008532   -0.002874   -0.252833

  31 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.152344    0.004730   -0.008380
      5.690301  0.000000  0.000000    -0.152344    0.036597   -0.104574
      0.000000  5.690301  0.000000     0.113859    0.004730    0.104574
      5.690301  5.690301  0.000000     0.113859    0.036597    0.008380
      0.000000  0.000000  5.690301    -0.113859   -0.036597   -0.008380
      5.690301  0.000000  5.690301    -0.113859   -0.004730   -0.104574
      0.000000  5.690301  5.690301     0.152344   -0.036597    0.104574
      5.690301  5.690301  5.690301     0.152344   -0.004730    0.008380
      0.000000  2.845151  2.845151    -0.027741    0.085792   -0.045604
      5.690301  2.845151  2.845151    -0.027741    0.053926    0.050591
      0.000000  8.535452  2.845151    -0.008624    0.085792   -0.050591
      5.690301  8.535452  2.845151    -0.008624    0.053926    0.045604
      0.000000  2.845151  8.535452     0.008624   -0.053926   -0.045604
      5.690301  2.845151  8.535452     0.008624   -0.085792    0.050591
      0.000000  8.535452  8.535452     0.027741   -0.053926   -0.050591
      5.690301  8.535452  8.535452     0.027741   -0.085792    0.045604
      2.845151  0.000000  2.845151     0.151284   -0.091759    0.076972
      8.535452  0.000000  2.845151     0.151284   -0.047959    0.035982
      2.845151  5.690301  2.845151    -0.114919   -0.091759   -0.035982
      8.535452  5.690301  2.845151    -0.114919   -0.047959   -0.076972
      2.845151  0.000000  8.535452     0.114919    0.047959    0.076972
      8.535452  0.000000  8.535452     0.114919    0.091759    0.035982
      2.845151  5.690301  8.535452    -0.151284    0.047959   -0.035982
      8.535452  5.690301  8.535452    -0.151284    0.091759   -0.076972
      2.845151  2.845151  0.000000     0.028801    0.001236   -0.022988
      8.535452  2.845151  0.000000     0.028801   -0.042564    0.018001
      2.845151  8.535452  0.000000     0.009684    0.001236   -0.018001
      8.535452  8.535452  0.000000     0.009684   -0.042564    0.022988
      2.845151  2.845151  5.690301    -0.009684    0.042564   -0.022988
      8.535452  2.845151  5.690301    -0.009684   -0.001236    0.018001
      2.845151  8.535452  5.690301    -0.028801    0.042564   -0.018001
      8.535452  8.535452  5.690301    -0.028801   -0.001236    0.022988
      2.845151  2.845151  2.845151     0.028435    0.094054    0.023563
      8.535452  2.845151  2.845151     0.028435    0.049158   -0.018451
      2.845151  8.535452  2.845151     0.008839    0.094054    0.018451
      8.535452  8.535452  2.845151     0.008839    0.049158   -0.023563
      2.845151  2.845151  8.535452    -0.008839   -0.049158    0.023563
      8.535452  2.845151  8.535452    -0.008839   -0.094054   -0.018451
      2.845151  8.535452  8.535452    -0.028435   -0.049158    0.018451
      8.535452  8.535452  8.535452    -0.028435   -0.094054   -0.023563
      2.845151  0.000000  0.000000     0.156154   -0.001267   -0.078896
      8.535452  0.000000  0.000000     0.156154    0.043628   -0.036882
      2.845151  5.690301  0.000000    -0.116706   -0.001267    0.036882
      8.535452  5.690301  0.000000    -0.116706    0.043628    0.078896
      2.845151  0.000000  5.690301     0.116706   -0.043628   -0.078896
      8.535452  0.000000  5.690301     0.116706    0.001267   -0.036882
      2.845151  5.690301  5.690301    -0.156154   -0.043628    0.036882
      8.535452  5.690301  5.690301    -0.156154    0.001267    0.078896
      0.000000  2.845151  0.000000    -0.029521   -0.004849    0.046745
      5.690301  2.845151  0.000000    -0.029521   -0.037512   -0.051856
      0.000000  8.535452  0.000000    -0.009926   -0.004849    0.051856
      5.690301  8.535452  0.000000    -0.009926   -0.037512   -0.046745
      0.000000  2.845151  5.690301     0.009926    0.037512    0.046745
      5.690301  2.845151  5.690301     0.009926    0.004849   -0.051856
      0.000000  8.535452  5.690301     0.029521    0.037512    0.051856
      5.690301  8.535452  5.690301     0.029521    0.004849   -0.046745
      0.000000  0.000000  2.845151    -0.155067   -0.087938    0.008589
      5.690301  0.000000  2.845151    -0.155067   -0.055274    0.107189
      0.000000  5.690301  2.845151     0.117793   -0.087938   -0.107189
      5.690301  5.690301  2.845151     0.117793   -0.055274   -0.008589
      0.000000  0.000000  8.535452    -0.117793    0.055274    0.008589
      5.690301  0.000000  8.535452    -0.117793    0.087938    0.107189
      0.000000  5.690301  8.535452     0.155067    0.055274   -0.107189
      5.690301  5.690301  8.535452     0.155067    0.087938   -0.008589

  32 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.019062   -0.120968    0.000000
      5.690301  0.000000  0.000000     0.019062   -0.059691   -0.078423
      0.000000  5.690301  0.000000    -0.112151   -0.120968    0.078423
      5.690301  5.690301  0.000000    -0.112151   -0.059691    0.000000
      0.000000  0.000000  5.690301     0.112151    0.059691    0.000000
      5.690301  0.000000  5.690301     0.112151    0.120968   -0.078423
      0.000000  5.690301  5.690301    -0.019062    0.059691    0.078423
      5.690301  5.690301  5.690301    -0.019062    0.120968    0.000000
      0.000000  2.845151  2.845151     0.043603    0.110440   -0.068324
      5.690301  2.845151  2.845151     0.043603    0.049164    0.010099
      0.000000  8.535452  2.845151     0.080788    0.110440   -0.010099
      5.690301  8.535452  2.845151     0.080788    0.049164    0.068324
      0.000000  2.845151  8.535452    -0.080788   -0.049164   -0.068324
      5.690301  2.845151  8.535452    -0.080788   -0.110440    0.010099
      0.000000  8.535452  8.535452    -0.043603   -0.049164   -0.010099
      5.690301  8.535452  8.535452    -0.043603   -0.110440    0.068324
      2.845151  0.000000  2.845151    -0.127802   -0.098363    0.046968
      8.535452  0.000000  2.845151    -0.127802   -0.061241    0.031455
      2.845151  5.690301  2.845151     0.003411   -0.098363   -0.031455
      8.535452  5.690301  2.845151     0.003411   -0.061241   -0.046968
      2.845151  0.000000  8.535452    -0.003411    0.061241    0.046968
      8.535452  0.000000  8.535452    -0.003411    0.098363    0.031455
      2.845151  5.690301  8.535452     0.127802    0.061241   -0.031455
      8.535452  5.690301  8.535452     0.127802    0.098363   -0.046968
      2.845151  2.845151  0.000000     0.065137    0.108891    0.021356
      8.535452  2.845151  0.000000     0.065137    0.071769    0.036869
      2.845151  8.535452  0.000000     0.027952    0.108891   -0.036869
      8.535452  8.535452  0.000000     0.027952    0.071769   -0.021356
      2.845151  2.845151  5.690301    -0.027952   -0.071769    0.021356
      8.535452  2.845151  5.690301    -0.027952   -0.108891    0.036869
      2.845151  8.535452  5.690301    -0.065137   -0.071769   -0.036869
      8.535452  8.535452  5.690301    -0.065137   -0.108891   -0.021356
      2.845151  2.845151  2.845151    -0.044694    0.100823   -0.021890
      8.535452  2.845151  2.845151    -0.044694    0.062772   -0.037791
      2.845151  8.535452  2.845151    -0.082808    0.100823    0.037791
      8.535452  8.535452  2.845151    -0.082808    0.062772    0.021890
      2.845151  2.845151  8.535452     0.082808   -0.062772   -0.021890
      8.535452  2.845151  8.535452     0.082808   -0.100823   -0.037791
      2.845151  8.535452  8.535452     0.044694   -0.062772    0.037791
      8.535452  8.535452  8.535452     0.044694   -0.100823    0.021890
      2.845151  0.000000  0.000000    -0.019539   -0.111613   -0.048142
      8.535452  0.000000  0.000000    -0.019539   -0.073563   -0.032242
      2.845151  5.690301  0.000000     0.114955   -0.111613    0.032242
      8.535452  5.690301  0.000000     0.114955   -0.073563    0.048142
      2.845151  0.000000  5.690301    -0.114955    0.073563   -0.048142
      8.535452  0.000000  5.690301    -0.114955    0.111613   -0.032242
      2.845151  5.690301  5.690301     0.019539    0.073563    0.032242
      8.535452  5.690301  5.690301     0.019539    0.111613    0.048142
      0.000000  2.845151  0.000000    -0.066766    0.123993    0.070032
      5.690301  2.845151  0.000000    -0.066766    0.061184   -0.010351
      0.000000  8.535452  0.000000    -0.028651    0.123993    0.010351
      5.690301  8.535452  0.000000    -0.028651    0.061184   -0.070032
      0.000000  2.845151  5.690301     0.028651   -0.061184    0.070032
      5.690301  2.845151  5.690301     0.028651   -0.123993   -0.010351
      0.000000  8.535452  5.690301     0.066766   -0.061184    0.010351
      5.690301  8.535452  5.690301     0.066766   -0.123993   -0.070032
      0.000000  0.000000  2.845151     0.130998   -0.113202    0.000000
      5.690301  0.000000  2.845151     0.130998   -0.050393    0.080384
      0.000000  5.690301  2.845151    -0.003496   -0.113202   -0.080384
      5.690301  5.690301  2.845151    -0.003496   -0.050393    0.000000
      0.000000  0.000000  8.535452     0.003496    0.050393    0.000000
      5.690301  0.000000  8.535452     0.003496    0.113202    0.080384
      0.000000  5.690301  8.535452    -0.130998    0.050393   -0.080384
      5.690301  5.690301  8.535452    -0.130998    0.113202    0.000000

  33 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.107661    0.088982    0.000000
      5.690301  0.000000  0.000000     0.107661   -0.026762   -0.171070
      0.000000  5.690301  0.000000    -0.003905    0.088982    0.171070
      5.690301  5.690301  0.000000    -0.003905   -0.026762    0.000000
      0.000000  0.000000  5.690301     0.003905    0.026762    0.000000
      5.690301  0.000000  5.690301     0.003905   -0.088982   -0.171070
      0.000000  5.690301  5.690301    -0.107661    0.026762    0.171070
      5.690301  5.690301  5.690301    -0.107661   -0.088982    0.000000
      0.000000  2.845151  2.845151    -0.049760   -0.053973   -0.044576
      5.690301  2.845151  2.845151    -0.049760    0.061772    0.126494
      0.000000  8.535452  2.845151    -0.017236   -0.053973   -0.126494
      5.690301  8.535452  2.845151    -0.017236    0.061772    0.044576
      0.000000  2.845151  8.535452     0.017236   -0.061772   -0.044576
      5.690301  2.845151  8.535452     0.017236    0.053973    0.126494
      0.000000  8.535452  8.535452     0.049760   -0.061772   -0.126494
      5.690301  8.535452  8.535452     0.049760    0.053973    0.044576
      2.845151  0.000000  2.845151    -0.022285    0.014074    0.037335
      8.535452  0.000000  2.845151    -0.022285   -0.021873    0.133735
      2.845151  5.690301  2.845151     0.089281    0.014074   -0.133735
      8.535452  5.690301  2.845151     0.089281   -0.021873   -0.037335
      2.845151  0.000000  8.535452    -0.089281    0.021873    0.037335
      8.535452  0.000000  8.535452    -0.089281   -0.014074    0.133735
      2.845151  5.690301  8.535452     0.022285    0.021873   -0.133735
      8.535452  5.690301  8.535452     0.022285   -0.014074   -0.037335
      2.845151  2.845151  0.000000    -0.035616   -0.049083    0.007241
      8.535452  2.845151  0.000000    -0.035616   -0.013137   -0.089160
      2.845151  8.535452  0.000000    -0.068140   -0.049083    0.089160
      8.535452  8.535452  0.000000    -0.068140   -0.013137   -0.007241
      2.845151  2.845151  5.690301     0.068140    0.013137    0.007241
      8.535452  2.845151  5.690301     0.068140    0.049083   -0.089160
      2.845151  8.535452  5.690301     0.035616    0.013137    0.089160
      8.535452  8.535452  5.690301     0.035616    0.049083   -0.007241
      2.845151  2.845151  2.845151     0.051004   -0.014426   -0.007422
      8.535452  2.845151  2.845151     0.051004    0.022420    0.091389
      2.845151  8.535452  2.845151     0.017667   -0.014426   -0.091389
      8.535452  8.535452  2.845151     0.017667    0.022420    0.007422
      2.845151  2.845151  8.535452    -0.017667   -0.022420   -0.007422
      8.535452  2.845151  8.535452    -0.017667    0.014426    0.091389
      2.845151  8.535452  8.535452    -0.051004   -0.022420   -0.091389
      8.535452  8.535452  8.535452    -0.051004    0.014426    0.007422
      2.845151  0.000000  0.000000    -0.110353    0.050311   -0.038268
      8.535452  0.000000  0.000000    -0.110353    0.013465   -0.137079
      2.845151  5.690301  0.000000     0.004003    0.050311    0.137079
      8.535452  5.690301  0.000000     0.004003    0.013465    0.038268
      2.845151  0.000000  5.690301    -0.004003   -0.013465   -0.038268
      8.535452  0.000000  5.690301    -0.004003   -0.050311   -0.137079
      2.845151  5.690301  5.690301     0.110353   -0.013465    0.137079
      8.535452  5.690301  5.690301     0.110353   -0.050311    0.038268
      0.000000  2.845151  0.000000     0.036507   -0.091207    0.045690
      5.690301  2.845151  0.000000     0.036507    0.027432   -0.129657
      0.000000  8.535452  0.000000     0.069844   -0.091207    0.129657
      5.690301  8.535452  0.000000     0.069844    0.027432   -0.045690
      0.000000  2.845151  5.690301    -0.069844   -0.027432    0.045690
      5.690301  2.845151  5.690301    -0.069844    0.091207   -0.129657
      0.000000  8.535452  5.690301    -0.036507   -0.027432    0.129657
      5.690301  8.535452  5.690301    -0.036507    0.091207   -0.045690
      0.000000  0.000000  2.845151     0.022843    0.055322    0.000000
      5.690301  0.000000  2.845151     0.022843   -0.063317    0.175348
      0.000000  5.690301  2.845151    -0.091513    0.055322   -0.175348
      5.690301  5.690301  2.845151    -0.091513   -0.063317    0.000000
      0.000000  0.000000  8.535452     0.091513    0.063317    0.000000
      5.690301  0.000000  8.535452     0.091513   -0.055322    0.175348
      0.000000  5.690301  8.535452    -0.022843    0.063317   -0.175348
      5.690301  5.690301  8.535452    -0.022843   -0.055322    0.000000

  34 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.066149   -0.043503   -0.000180
      5.690301  0.000000  0.000000     0.066149    0.032210    0.006017
      0.000000  5.690301  0.000000     0.064778   -0.043503   -0.006017
      5.690301  5.690301  0.000000     0.064778    0.032210    0.000180
      0.000000  0.000000  5.690301    -0.064778   -0.032210   -0.000180
      5.690301  0.000000  5.690301    -0.064778    0.043503    0.006017
      0.000000  5.690301  5.690301    -0.066149   -0.032210   -0.006017
      5.690301  5.690301  5.690301    -0.066149    0.043503    0.000180
      0.000000  2.845151  2.845151    -0.037651    0.039042   -0.086079
      5.690301  2.845151  2.845151    -0.037651   -0.036672   -0.092275
      0.000000  8.535452  2.845151    -0.038461    0.039042    0.092275
      5.690301  8.535452  2.845151    -0.038461   -0.036672    0.086079
      0.000000  2.845151  8.535452     0.038461    0.036672   -0.086079
      5.690301  2.845151  8.535452     0.038461   -0.039042   -0.092275
      0.000000  8.535452  8.535452     0.037651    0.036672    0.092275
      5.690301  8.535452  8.535452     0.037651   -0.039042    0.086079
      2.845151  0.000000  2.845151     0.037370   -0.099826   -0.077596
      8.535452  0.000000  2.845151     0.037370    0.097456    0.071759
      2.845151  5.690301  2.845151     0.038742   -0.099826   -0.071759
      8.535452  5.690301  2.845151     0.038742    0.097456    0.077596
      2.845151  0.000000  8.535452    -0.038742   -0.097456   -0.077596
      8.535452  0.000000  8.535452    -0.038742    0.099826    0.071759
      2.845151  5.690301  8.535452    -0.037370   -0.097456   -0.071759
      8.535452  5.690301  8.535452    -0.037370    0.099826    0.077596
      2.845151  2.845151  0.000000    -0.065868    0.104288    0.163855
      8.535452  2.845151  0.000000    -0.065868   -0.092995    0.014499
      2.845151  8.535452  0.000000    -0.065058    0.104288   -0.014499
      8.535452  8.535452  0.000000    -0.065058   -0.092995   -0.163855
      2.845151  2.845151  5.690301     0.065058    0.092995    0.163855
      8.535452  2.845151  5.690301     0.065058   -0.104288    0.014499
      2.845151  8.535452  5.690301     0.065868    0.092995   -0.014499
      8.535452  8.535452  5.690301     0.065868   -0.104288   -0.163855
      2.845151  2.845151  2.845151     0.038592    0.102322   -0.167952
      8.535452  2.845151  2.845151     0.038592   -0.099893   -0.014862
      2.845151  8.535452  2.845151     0.039422    0.102322    0.014862
      8.535452  8.535452  2.845151     0.039422   -0.099893    0.167952
      2.845151  2.845151  8.535452    -0.039422    0.099893   -0.167952
      8.535452  2.845151  8.535452    -0.039422   -0.102322   -0.014862
      2.845151  8.535452  8.535452    -0.038592    0.099893    0.014862
      8.535452  8.535452  8.535452    -0.038592   -0.102322    0.167952
      2.845151  0.000000  0.000000    -0.067803   -0.106895    0.079537
      8.535452  0.000000  0.000000    -0.067803    0.095320   -0.073554
      2.845151  5.690301  0.000000    -0.066397   -0.106895    0.073554
      8.535452  5.690301  0.000000    -0.066397    0.095320   -0.079537
      2.845151  0.000000  5.690301     0.066397   -0.095320    0.079537
      8.535452  0.000000  5.690301     0.066397    0.106895   -0.073554
      2.845151  5.690301  5.690301     0.067803   -0.095320    0.073554
      8.535452  5.690301  5.690301     0.067803    0.106895   -0.079537
      0.000000  2.845151  0.000000     0.067516    0.044591    0.088232
      5.690301  2.845151  0.000000     0.067516   -0.033016    0.094583
      0.000000  8.535452  0.000000     0.066685    0.044591   -0.094583
      5.690301  8.535452  0.000000     0.066685   -0.033016   -0.088232
      0.000000  2.845151  5.690301    -0.066685    0.033016    0.088232
      5.690301  2.845151  5.690301    -0.066685   -0.044591    0.094583
      0.000000  8.535452  5.690301    -0.067516    0.033016   -0.094583
      5.690301  8.535452  5.690301    -0.067516   -0.044591   -0.088232
      0.000000  0.000000  2.845151    -0.038304   -0.040018    0.000184
      5.690301  0.000000  2.845151    -0.038304    0.037589   -0.006167
      0.000000  5.690301  2.845151    -0.039710   -0.040018    0.006167
      5.690301  5.690301  2.845151    -0.039710    0.037589   -0.000184
      0.000000  0.000000  8.535452     0.039710   -0.037589    0.000184
      5.690301  0.000000  8.535452     0.039710    0.040018   -0.006167
      0.000000  5.690301  8.535452     0.038304   -0.037589    0.006167
      5.690301  5.690301  8.535452     0.038304    0.040018   -0.000184

  35 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.045553   -0.068982    0.000004
      5.690301  0.000000  0.000000    -0.045553    0.122821    0.004613
      0.000000  5.690301  0.000000    -0.051173   -0.068982   -0.004613
      5.690301  5.690301  0.000000    -0.051173    0.122821   -0.000004
      0.000000  0.000000  5.690301     0.051173   -0.122821    0.000004
      5.690301  0.000000  5.690301     0.051173    0.068982    0.004613
      0.000000  5.690301  5.690301     0.045553   -0.122821   -0.004613
      5.690301  5.690301  5.690301     0.045553    0.068982   -0.000004
      0.000000  2.845151  2.845151     0.044730    0.108682    0.058560
      5.690301  2.845151  2.845151     0.044730   -0.083121    0.053951
      0.000000  8.535452  2.845151    -0.040457    0.108682   -0.053951
      5.690301  8.535452  2.845151    -0.040457   -0.083121   -0.058560
      0.000000  2.845151  8.535452     0.040457    0.083121    0.058560
      5.690301  2.845151  8.535452     0.040457   -0.108682    0.053951
      0.000000  8.535452  8.535452    -0.044730    0.083121   -0.053951
      5.690301  8.535452  8.535452    -0.044730   -0.108682   -0.058560
      2.845151  0.000000  2.845151    -0.004946    0.021662   -0.111240
      8.535452  0.000000  2.845151    -0.004946   -0.047222    0.106623
      2.845151  5.690301  2.845151     0.000674    0.021662   -0.106623
      8.535452  5.690301  2.845151     0.000674   -0.047222    0.111240
      2.845151  0.000000  8.535452    -0.000674    0.047222   -0.111240
      8.535452  0.000000  8.535452    -0.000674   -0.021662    0.106623
      2.845151  5.690301  8.535452     0.004946    0.047222   -0.106623
      8.535452  5.690301  8.535452     0.004946   -0.021662    0.111240
      2.845151  2.845151  0.000000     0.005770   -0.061362    0.052675
      8.535452  2.845151  0.000000     0.005770    0.007522   -0.165187
      2.845151  8.535452  0.000000     0.090957   -0.061362    0.165187
      8.535452  8.535452  0.000000     0.090957    0.007522   -0.052675
      2.845151  2.845151  5.690301    -0.090957   -0.007522    0.052675
      8.535452  2.845151  5.690301    -0.090957    0.061362   -0.165187
      2.845151  8.535452  5.690301    -0.005770   -0.007522    0.165187
      8.535452  8.535452  5.690301    -0.005770    0.061362   -0.052675
      2.845151  2.845151  2.845151    -0.045848   -0.022204   -0.053993
      8.535452  2.845151  2.845151    -0.045848    0.048403    0.169317
      2.845151  8.535452  2.845151     0.041469   -0.022204   -0.169317
      8.535452  8.535452  2.845151     0.041469    0.048403    0.053993
      2.845151  2.845151  8.535452    -0.041469   -0.048403   -0.053993
      8.535452  2.845151  8.535452    -0.041469    0.022204    0.169317
      2.845151  8.535452  8.535452     0.045848   -0.048403   -0.169317
      8.535452  8.535452  8.535452     0.045848    0.022204    0.053993
      2.845151  0.000000  0.000000     0.046692    0.062896    0.114021
      8.535452  0.000000  0.000000     0.046692   -0.007710   -0.109289
      2.845151  5.690301  0.000000     0.052453    0.062896    0.109289
      8.535452  5.690301  0.000000     0.052453   -0.007710   -0.114021
      2.845151  0.000000  5.690301    -0.052453    0.007710    0.114021
      8.535452  0.000000  5.690301    -0.052453   -0.062896   -0.109289
      2.845151  5.690301  5.690301    -0.046692    0.007710    0.109289
      8.535452  5.690301  5.690301    -0.046692   -0.062896   -0.114021
      0.000000  2.845151  0.000000    -0.005914    0.070707   -0.060024
      5.690301  2.845151  0.000000    -0.005914   -0.125892   -0.055300
      0.000000  8.535452  0.000000    -0.093231    0.070707    0.055300
      5.690301  8.535452  0.000000    -0.093231   -0.125892    0.060024
      0.000000  2.845151  5.690301     0.093231    0.125892   -0.060024
      5.690301  2.845151  5.690301     0.093231   -0.070707   -0.055300
      0.000000  8.535452  5.690301     0.005914    0.125892    0.055300
      5.690301  8.535452  5.690301     0.005914   -0.070707    0.060024
      0.000000  0.000000  2.845151     0.005070   -0.111399   -0.000004
      5.690301  0.000000  2.845151     0.005070    0.085200   -0.004728
      0.000000  5.690301  2.845151    -0.000690   -0.111399    0.004728
      5.690301  5.690301  2.845151    -0.000690    0.085200    0.000004
      0.000000  0.000000  8.535452     0.000690   -0.085200   -0.000004
      5.690301  0.000000  8.535452     0.000690    0.111399   -0.004728
      0.000000  5.690301  8.535452    -0.005070   -0.085200    0.004728
      5.690301  5.690301  8.535452    -0.005070    0.111399    0.000004

  36 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.073933   -0.026009   -0.001665
      5.690301  0.000000  0.000000     0.073933    0.058511    0.011833
      0.000000  5.690301  0.000000    -0.009433   -0.026009   -0.011833
      5.690301  5.690301  0.000000    -0.009433    0.058511    0.001665
      0.000000  0.000000  5.690301     0.009433   -0.058511   -0.001665
      5.690301  0.000000  5.690301     0.009433    0.026009    0.011833
      0.000000  5.690301  5.690301    -0.073933   -0.058511   -0.011833
      5.690301  5.690301  5.690301    -0.073933    0.026009    0.001665
      0.000000  2.845151  2.845151    -0.026527    0.113493   -0.030645
      5.690301  2.845151  2.845151    -0.026527    0.028973   -0.044143
      0.000000  8.535452  2.845151    -0.151228    0.113493    0.044143
      5.690301  8.535452  2.845151    -0.151228    0.028973    0.030645
      0.000000  2.845151  8.535452     0.151228   -0.028973   -0.030645
      5.690301  2.845151  8.535452     0.151228   -0.113493   -0.044143
      0.000000  8.535452  8.535452     0.026527   -0.028973    0.044143
      5.690301  8.535452  8.535452     0.026527   -0.113493    0.030645
      2.845151  0.000000  2.845151     0.047195   -0.009641    0.054301
      8.535452  0.000000  2.845151     0.047195   -0.132825   -0.064469
      2.845151  5.690301  2.845151     0.130560   -0.009641    0.064469
      8.535452  5.690301  2.845151     0.130560   -0.132825   -0.054301
      2.845151  0.000000  8.535452    -0.130560    0.132825    0.054301
      8.535452  0.000000  8.535452    -0.130560    0.009641   -0.064469
      2.845151  5.690301  8.535452    -0.047195    0.132825    0.064469
      8.535452  5.690301  8.535452    -0.047195    0.009641   -0.054301
      2.845151  2.845151  0.000000    -0.094600   -0.077843   -0.021991
      8.535452  2.845151  0.000000    -0.094600    0.045342    0.096779
      2.845151  8.535452  0.000000     0.030100   -0.077843   -0.096779
      8.535452  8.535452  0.000000     0.030100    0.045342    0.021991
      2.845151  2.845151  5.690301    -0.030100   -0.045342   -0.021991
      8.535452  2.845151  5.690301    -0.030100    0.077843    0.096779
      2.845151  8.535452  5.690301     0.094600   -0.045342   -0.096779
      8.535452  8.535452  5.690301     0.094600    0.077843    0.021991
      2.845151  2.845151  2.845151     0.027190    0.009882    0.022541
      8.535452  2.845151  2.845151     0.027190    0.136147   -0.099200
      2.845151  8.535452  2.845151     0.155009    0.009882    0.099200
      8.535452  8.535452  2.845151     0.155009    0.136147   -0.022541
      2.845151  2.845151  8.535452    -0.155009   -0.136147    0.022541
      8.535452  2.845151  8.535452    -0.155009   -0.009882   -0.099200
      2.845151  8.535452  8.535452    -0.027190   -0.136147    0.099200
      8.535452  8.535452  8.535452    -0.027190   -0.009882   -0.022541
      2.845151  0.000000  0.000000    -0.075782    0.079789   -0.055659
      8.535452  0.000000  0.000000    -0.075782   -0.046475    0.066081
      2.845151  5.690301  0.000000     0.009669    0.079789   -0.066081
      8.535452  5.690301  0.000000     0.009669   -0.046475    0.055659
      2.845151  0.000000  5.690301    -0.009669    0.046475   -0.055659
      8.535452  0.000000  5.690301    -0.009669   -0.079789    0.066081
      2.845151  5.690301  5.690301     0.075782    0.046475   -0.066081
      8.535452  5.690301  5.690301     0.075782   -0.079789    0.055659
      0.000000  2.845151  0.000000     0.096966    0.026660    0.031412
      5.690301  2.845151  0.000000     0.096966   -0.059974    0.045247
      0.000000  8.535452  0.000000    -0.030853    0.026660   -0.045247
      5.690301  8.535452  0.000000    -0.030853   -0.059974   -0.031412
      0.000000  2.845151  5.690301     0.030853    0.059974    0.031412
      5.690301  2.845151  5.690301     0.030853   -0.026660    0.045247
      0.000000  8.535452  5.690301    -0.096966    0.059974   -0.045247
      5.690301  8.535452  5.690301    -0.096966   -0.026660   -0.031412
      0.000000  0.000000  2.845151    -0.048375   -0.116331    0.001707
      5.690301  0.000000  2.845151    -0.048375   -0.029697   -0.012129
      0.000000  5.690301  2.845151    -0.133825   -0.116331    0.012129
      5.690301  5.690301  2.845151    -0.133825   -0.029697   -0.001707
      0.000000  0.000000  8.535452     0.133825    0.029697    0.001707
      5.690301  0.000000  8.535452     0.133825    0.116331   -0.012129
      0.000000  5.690301  8.535452     0.048375    0.029697    0.012129
      5.690301  5.690301  8.535452     0.048375    0.116331   -0.001707

  37 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.086826   -0.089215    0.003248
      5.690301  0.000000  0.000000     0.086826    0.127630   -0.049575
      0.000000  5.690301  0.000000     0.068666   -0.089215    0.049575
      5.690301  5.690301  0.000000     0.068666    0.127630   -0.003248
      0.000000  0.000000  5.690301    -0.068666   -0.127630    0.003248
      5.690301  0.000000  5.690301    -0.068666    0.089215   -0.049575
      0.000000  5.690301  5.690301    -0.086826   -0.127630    0.049575
      5.690301  5.690301  5.690301    -0.086826    0.089215   -0.003248
      0.000000  2.845151  2.845151     0.019238    0.063581    0.012442
      5.690301  2.845151  2.845151     0.019238   -0.153264    0.065265
      0.000000  8.535452  2.845151     0.075085    0.063581   -0.065265
      5.690301  8.535452  2.845151     0.075085   -0.153264   -0.012442
      0.000000  2.845151  8.535452    -0.075085    0.153264    0.012442
      5.690301  2.845151  8.535452    -0.075085   -0.063581    0.065265
      0.000000  8.535452  8.535452    -0.019238    0.153264   -0.065265
      5.690301  8.535452  8.535452    -0.019238   -0.063581   -0.012442
      2.845151  0.000000  2.845151    -0.056242    0.031876    0.088743
      8.535452  0.000000  2.845151    -0.056242    0.057807   -0.042415
      2.845151  5.690301  2.845151    -0.038081    0.031876    0.042415
      8.535452  5.690301  2.845151    -0.038081    0.057807   -0.088743
      2.845151  0.000000  8.535452     0.038081   -0.057807    0.088743
      8.535452  0.000000  8.535452     0.038081   -0.031876   -0.042415
      2.845151  5.690301  8.535452     0.056242   -0.057807    0.042415
      8.535452  5.690301  8.535452     0.056242   -0.031876   -0.088743
      2.845151  2.845151  0.000000    -0.049823   -0.006242   -0.104432
      8.535452  2.845151  0.000000    -0.049823   -0.032173    0.026725
      2.845151  8.535452  0.000000    -0.105669   -0.006242   -0.026725
      8.535452  8.535452  0.000000    -0.105669   -0.032173    0.104432
      2.845151  2.845151  5.690301     0.105669    0.032173   -0.104432
      8.535452  2.845151  5.690301     0.105669    0.006242    0.026725
      2.845151  8.535452  5.690301     0.049823    0.032173   -0.026725
      8.535452  8.535452  5.690301     0.049823    0.006242    0.104432
      2.845151  2.845151  2.845151    -0.019719   -0.032673    0.107044
      8.535452  2.845151  2.845151    -0.019719   -0.059253   -0.027394
      2.845151  8.535452  2.845151    -0.076962   -0.032673    0.027394
      8.535452  8.535452  2.845151    -0.076962   -0.059253   -0.107044
      2.845151  2.845151  8.535452     0.076962    0.059253    0.107044
      8.535452  2.845151  8.535452     0.076962    0.032673   -0.027394
      2.845151  8.535452  8.535452     0.019719    0.059253    0.027394
      8.535452  8.535452  8.535452     0.019719    0.032673   -0.107044
      2.845151  0.000000  0.000000    -0.088997    0.006398   -0.090962
      8.535452  0.000000  0.000000    -0.088997    0.032978    0.043476
      2.845151  5.690301  0.000000    -0.070383    0.006398   -0.043476
      8.535452  5.690301  0.000000    -0.070383    0.032978    0.090962
      2.845151  0.000000  5.690301     0.070383   -0.032978   -0.090962
      8.535452  0.000000  5.690301     0.070383   -0.006398    0.043476
      2.845151  5.690301  5.690301     0.088997   -0.032978   -0.043476
      8.535452  5.690301  5.690301     0.088997   -0.006398    0.090962
      0.000000  2.845151  0.000000     0.051068    0.091446   -0.012753
      5.690301  2.845151  0.000000     0.051068   -0.130822   -0.066897
      0.000000  8.535452  0.000000     0.108312    0.091446    0.066897
      5.690301  8.535452  0.000000     0.108312   -0.130822    0.012753
      0.000000  2.845151  5.690301    -0.108312    0.130822   -0.012753
      5.690301  2.845151  5.690301    -0.108312   -0.091446   -0.066897
      0.000000  8.535452  5.690301    -0.051068    0.130822    0.066897
      5.690301  8.535452  5.690301    -0.051068   -0.091446    0.012753
      0.000000  0.000000  2.845151     0.057648   -0.065171   -0.003329
      5.690301  0.000000  2.845151     0.057648    0.157097    0.050815
      0.000000  5.690301  2.845151     0.039033   -0.065171   -0.050815
      5.690301  5.690301  2.845151     0.039033    0.157097    0.003329
      0.000000  0.000000  8.535452    -0.039033   -0.157097   -0.003329
      5.690301  0.000000  8.535452    -0.039033    0.065171    0.050815
      0.000000  5.690301  8.535452    -0.057648   -0.157097   -0.050815
      5.690301  5.690301  8.535452    -0.057648    0.065171    0.003329

  38 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.010269    0.052815   -0.002835
      5.690301  0.000000  0.000000     0.010269    0.069398    0.064329
      0.000000  5.690301  0.000000    -0.084320    0.052815   -0.064329
      5.690301  5.690301  0.000000    -0.084320    0.069398    0.002835
      0.000000  0.000000  5.690301     0.084320   -0.069398   -0.002835
      5.690301  0.000000  5.690301     0.084320   -0.052815    0.064329
      0.000000  5.690301  5.690301    -0.010269   -0.069398   -0.064329
      5.690301  5.690301  5.690301    -0.010269   -0.052815    0.002835
      0.000000  2.845151  2.845151    -0.136961    0.063444    0.087233
      5.690301  2.845151  2.845151    -0.136961    0.046861    0.020070
      0.000000  8.535452  2.845151     0.042797    0.063444   -0.020070
      5.690301  8.535452  2.845151     0.042797    0.046861   -0.087233
      0.000000  2.845151  8.535452    -0.042797   -0.046861    0.087233
      5.690301  2.845151  8.535452    -0.042797   -0.063444    0.020070
      0.000000  8.535452  8.535452     0.136961   -0.046861   -0.020070
      5.690301  8.535452  8.535452     0.136961   -0.063444   -0.087233
      2.845151  0.000000  2.845151    -0.000212   -0.121775   -0.012279
      8.535452  0.000000  2.845151    -0.000212    0.011469   -0.049215
      2.845151  5.690301  2.845151     0.094377   -0.121775    0.049215
      8.535452  5.690301  2.845151     0.094377    0.011469    0.012279
      2.845151  0.000000  8.535452    -0.094377   -0.011469   -0.012279
      8.535452  0.000000  8.535452    -0.094377    0.121775   -0.049215
      2.845151  5.690301  8.535452     0.000212   -0.011469    0.049215
      8.535452  5.690301  8.535452     0.000212    0.121775    0.012279
      2.845151  2.845151  0.000000     0.126904    0.005515   -0.072119
      8.535452  2.845151  0.000000     0.126904   -0.127729   -0.035184
      2.845151  8.535452  0.000000    -0.052853    0.005515    0.035184
      8.535452  8.535452  0.000000    -0.052853   -0.127729    0.072119
      2.845151  2.845151  5.690301     0.052853    0.127729   -0.072119
      8.535452  2.845151  5.690301     0.052853   -0.005515   -0.035184
      2.845151  8.535452  5.690301    -0.126904    0.127729    0.035184
      8.535452  8.535452  5.690301    -0.126904   -0.005515    0.072119
      2.845151  2.845151  2.845151     0.140386    0.124820    0.073923
      8.535452  2.845151  2.845151     0.140386   -0.011756    0.036063
      2.845151  8.535452  2.845151    -0.043867    0.124820   -0.036063
      8.535452  8.535452  2.845151    -0.043867   -0.011756   -0.073923
      2.845151  2.845151  8.535452     0.043867    0.011756    0.073923
      8.535452  2.845151  8.535452     0.043867   -0.124820    0.036063
      2.845151  8.535452  8.535452    -0.140386    0.011756   -0.036063
      8.535452  8.535452  8.535452    -0.140386   -0.124820   -0.073923
      2.845151  0.000000  0.000000    -0.010526   -0.005653    0.012586
      8.535452  0.000000  0.000000    -0.010526    0.130922    0.050445
      2.845151  5.690301  0.000000     0.086429   -0.005653   -0.050445
      8.535452  5.690301  0.000000     0.086429    0.130922   -0.012586
      2.845151  0.000000  5.690301    -0.086429   -0.130922    0.012586
      8.535452  0.000000  5.690301    -0.086429    0.005653    0.050445
      2.845151  5.690301  5.690301     0.010526   -0.130922   -0.050445
      8.535452  5.690301  5.690301     0.010526    0.005653   -0.012586
      0.000000  2.845151  0.000000    -0.130078   -0.054136   -0.089415
      5.690301  2.845151  0.000000    -0.130078   -0.071134   -0.020571
      0.000000  8.535452  0.000000     0.054175   -0.054136    0.020571
      5.690301  8.535452  0.000000     0.054175   -0.071134    0.089415
      0.000000  2.845151  5.690301    -0.054175    0.071134   -0.089415
      5.690301  2.845151  5.690301    -0.054175    0.054136   -0.020571
      0.000000  8.535452  5.690301     0.130078    0.071134    0.020571
      5.690301  8.535452  5.690301     0.130078    0.054136    0.089415
      0.000000  0.000000  2.845151     0.000218   -0.065031    0.002906
      5.690301  0.000000  2.845151     0.000218   -0.048033   -0.065937
      0.000000  5.690301  2.845151    -0.096737   -0.065031    0.065937
      5.690301  5.690301  2.845151    -0.096737   -0.048033   -0.002906
      0.000000  0.000000  8.535452     0.096737    0.048033    0.002906
      5.690301  0.000000  8.535452     0.096737    0.065031   -0.065937
      0.000000  5.690301  8.535452    -0.000218    0.048033    0.065937
      5.690301  5.690301  8.535452    -0.000218    0.065031   -0.002906

  39 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.056020    0.115559    0.004590
      5.690301  0.000000  0.000000     0.056020    0.052727    0.047408
      0.000000  5.690301  0.000000     0.049982    0.115559   -0.047408
      5.690301  5.690301  0.000000     0.049982    0.052727   -0.004590
      0.000000  0.000000  5.690301    -0.049982   -0.052727    0.004590
      5.690301  0.000000  5.690301    -0.049982   -0.115559    0.047408
      0.000000  5.690301  5.690301    -0.056020   -0.052727   -0.047408
      5.690301  5.690301  5.690301    -0.056020   -0.115559   -0.004590
      0.000000  2.845151  2.845151     0.123683    0.046777    0.000473
      5.690301  2.845151  2.845151     0.123683    0.109609   -0.042345
      0.000000  8.535452  2.845151     0.087014    0.046777    0.042345
      5.690301  8.535452  2.845151     0.087014    0.109609   -0.000473
      0.000000  2.845151  8.535452    -0.087014   -0.109609    0.000473
      5.690301  2.845151  8.535452    -0.087014   -0.046777   -0.042345
      0.000000  8.535452  8.535452    -0.123683   -0.109609    0.042345
      5.690301  8.535452  8.535452    -0.123683   -0.046777   -0.000473
      2.845151  0.000000  2.845151    -0.108367   -0.065685   -0.043761
      8.535452  0.000000  2.845151    -0.108367   -0.090701   -0.008237
      2.845151  5.690301  2.845151    -0.102330   -0.065685    0.008237
      8.535452  5.690301  2.845151    -0.102330   -0.090701    0.043761
      2.845151  0.000000  8.535452     0.102330    0.090701   -0.043761
      8.535452  0.000000  8.535452     0.102330    0.065685   -0.008237
      2.845151  5.690301  8.535452     0.108367    0.090701    0.008237
      8.535452  5.690301  8.535452     0.108367    0.065685    0.043761
      2.845151  2.845151  0.000000    -0.071335   -0.096651    0.038698
      8.535452  2.845151  0.000000    -0.071335   -0.071635    0.003174
      2.845151  8.535452  0.000000    -0.034666   -0.096651   -0.003174
      8.535452  8.535452  0.000000    -0.034666   -0.071635   -0.038698
      2.845151  2.845151  5.690301     0.034666    0.071635    0.038698
      8.535452  2.845151  5.690301     0.034666    0.096651    0.003174
      2.845151  8.535452  5.690301     0.071335    0.071635   -0.003174
      8.535452  8.535452  5.690301     0.071335    0.096651   -0.038698
      2.845151  2.845151  2.845151    -0.126776    0.067327   -0.039665
      8.535452  2.845151  2.845151    -0.126776    0.092970   -0.003253
      2.845151  8.535452  2.845151    -0.089190    0.067327    0.003253
      8.535452  8.535452  2.845151    -0.089190    0.092970    0.039665
      2.845151  2.845151  8.535452     0.089190   -0.092970   -0.039665
      8.535452  2.845151  8.535452     0.089190   -0.067327   -0.003253
      2.845151  8.535452  8.535452     0.126776   -0.092970    0.003253
      8.535452  8.535452  8.535452     0.126776   -0.067327    0.039665
      2.845151  0.000000  0.000000    -0.057420    0.099068    0.044855
      8.535452  0.000000  0.000000    -0.057420    0.073426    0.008443
      2.845151  5.690301  0.000000    -0.051231    0.099068   -0.008443
      8.535452  5.690301  0.000000    -0.051231    0.073426   -0.044855
      2.845151  0.000000  5.690301     0.051231   -0.073426    0.044855
      8.535452  0.000000  5.690301     0.051231   -0.099068    0.008443
      2.845151  5.690301  5.690301     0.057420   -0.073426   -0.008443
      8.535452  5.690301  5.690301     0.057420   -0.099068   -0.044855
      0.000000  2.845151  0.000000     0.073119   -0.118449   -0.000485
      5.690301  2.845151  0.000000     0.073119   -0.054045    0.043404
      0.000000  8.535452  0.000000     0.035533   -0.118449   -0.043404
      5.690301  8.535452  0.000000     0.035533   -0.054045    0.000485
      0.000000  2.845151  5.690301    -0.035533    0.054045   -0.000485
      5.690301  2.845151  5.690301    -0.035533    0.118449    0.043404
      0.000000  8.535452  5.690301    -0.073119    0.054045   -0.043404
      5.690301  8.535452  5.690301    -0.073119    0.118449    0.000485
      0.000000  0.000000  2.845151     0.111077   -0.047947   -0.004705
      5.690301  0.000000  2.845151     0.111077   -0.112350   -0.048593
      0.000000  5.690301  2.845151     0.104888   -0.047947    0.048593
      5.690301  5.690301  2.845151     0.104888   -0.112350    0.004705
      0.000000  0.000000  8.535452    -0.104888    0.112350   -0.004705
      5.690301  0.000000  8.535452    -0.104888    0.047947   -0.048593
      0.000000  5.690301  8.535452    -0.111077    0.112350    0.048593
      5.690301  5.690301  8.535452    -0.111077    0.047947    0.004705

  40 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.010553    0.020383    0.000031
      5.690301  0.000000  0.000000     0.010553   -0.026674   -0.010636
      0.000000  5.690301  0.000000    -0.022622    0.020383    0.010636
      5.690301  5.690301  0.000000    -0.022622   -0.026674   -0.000031
      0.000000  0.000000  5.690301     0.022622    0.026674    0.000031
      5.690301  0.000000  5.690301     0.022622   -0.020383   -0.010636
      0.000000  5.690301  5.690301    -0.010553    0.026674    0.010636
      5.690301  5.690301  5.690301    -0.010553   -0.020383   -0.000031
      0.000000  2.845151  2.845151     0.127104   -0.019535    0.060081
      5.690301  2.845151  2.845151     0.127104    0.027522    0.070747
      0.000000  8.535452  2.845151    -0.114026   -0.019535   -0.070747
      5.690301  8.535452  2.845151    -0.114026    0.027522   -0.060081
      0.000000  2.845151  8.535452     0.114026   -0.027522    0.060081
      5.690301  2.845151  8.535452     0.114026    0.019535    0.070747
      0.000000  8.535452  8.535452    -0.127104   -0.027522   -0.070747
      5.690301  8.535452  8.535452    -0.127104    0.019535   -0.060081
      2.845151  0.000000  2.845151    -0.023126   -0.102277    0.037138
      8.535452  0.000000  2.845151    -0.023126    0.094290   -0.026534
      2.845151  5.690301  2.845151     0.010049   -0.102277    0.026534
      8.535452  5.690301  2.845151     0.010049    0.094290   -0.037138
      2.845151  0.000000  8.535452    -0.010049   -0.094290    0.037138
      8.535452  0.000000  8.535452    -0.010049    0.102277   -0.026534
      2.845151  5.690301  8.535452     0.023126   -0.094290    0.026534
      8.535452  5.690301  8.535452     0.023126    0.102277   -0.037138
      2.845151  2.845151  0.000000    -0.114530    0.101429   -0.097250
      8.535452  2.845151  0.000000    -0.114530   -0.095138   -0.033578
      2.845151  8.535452  0.000000     0.126600    0.101429    0.033578
      8.535452  8.535452  0.000000     0.126600   -0.095138    0.097250
      2.845151  2.845151  5.690301    -0.126600    0.095138   -0.097250
      8.535452  2.845151  5.690301    -0.126600   -0.101429   -0.033578
      2.845151  8.535452  5.690301     0.114530    0.095138    0.033578
      8.535452  8.535452  5.690301     0.114530   -0.101429    0.097250
      2.845151  2.845151  2.845151    -0.130282    0.104834    0.099682
      8.535452  2.845151  2.845151    -0.130282   -0.096647    0.034418
      2.845151  8.535452  2.845151     0.116878    0.104834   -0.034418
      8.535452  8.535452  2.845151     0.116878   -0.096647   -0.099682
      2.845151  2.845151  8.535452    -0.116878    0.096647    0.099682
      8.535452  2.845151  8.535452    -0.116878   -0.104834    0.034418
      2.845151  8.535452  8.535452     0.130282    0.096647   -0.034418
      8.535452  8.535452  8.535452     0.130282   -0.104834   -0.099682
      2.845151  0.000000  0.000000    -0.010817   -0.103965   -0.038067
      8.535452  0.000000  0.000000    -0.010817    0.097517    0.027197
      2.845151  5.690301  0.000000     0.023188   -0.103965   -0.027197
      8.535452  5.690301  0.000000     0.023188    0.097517    0.038067
      2.845151  0.000000  5.690301    -0.023188   -0.097517   -0.038067
      8.535452  0.000000  5.690301    -0.023188    0.103965    0.027197
      2.845151  5.690301  5.690301     0.010817   -0.097517   -0.027197
      8.535452  5.690301  5.690301     0.010817    0.103965    0.038067
      0.000000  2.845151  0.000000     0.117394   -0.020893   -0.061583
      5.690301  2.845151  0.000000     0.117394    0.027341   -0.072516
      0.000000  8.535452  0.000000    -0.129766   -0.020893    0.072516
      5.690301  8.535452  0.000000    -0.129766    0.027341    0.061583
      0.000000  2.845151  5.690301     0.129766   -0.027341   -0.061583
      5.690301  2.845151  5.690301     0.129766    0.020893   -0.072516
      0.000000  8.535452  5.690301    -0.117394   -0.027341    0.072516
      5.690301  8.535452  5.690301    -0.117394    0.020893    0.061583
      0.000000  0.000000  2.845151     0.023704    0.020024   -0.000031
      5.690301  0.000000  2.845151     0.023704   -0.028211    0.010902
      0.000000  5.690301  2.845151    -0.010300    0.020024   -0.010902
      5.690301  5.690301  2.845151    -0.010300   -0.028211    0.000031
      0.000000  0.000000  8.535452     0.010300    0.028211   -0.000031
      5.690301  0.000000  8.535452     0.010300   -0.020024    0.010902
      0.000000  5.690301  8.535452    -0.023704    0.028211   -0.010902
      5.690301  5.690301  8.535452    -0.023704   -0.020024    0.000031

  41 f  =    5.019508 THz    31.538502 2PiTHz  167.432773 cm-1    20.759026 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.054216   -0.080854   -0.000441
      5.690301  0.000000  0.000000     0.054216   -0.105804    0.073782
      0.000000  5.690301  0.000000     0.116874   -0.080854   -0.073782
      5.690301  5.690301  0.000000     0.116874   -0.105804    0.000441
      0.000000  0.000000  5.690301    -0.116874    0.105804   -0.000441
      5.690301  0.000000  5.690301    -0.116874    0.080854    0.073782
      0.000000  5.690301  5.690301    -0.054216    0.105804   -0.073782
      5.690301  5.690301  5.690301    -0.054216    0.080854    0.000441
      0.000000  2.845151  2.845151    -0.032832    0.040303    0.116646
      5.690301  2.845151  2.845151    -0.032832    0.065253    0.042423
      0.000000  8.535452  2.845151     0.004263    0.040303   -0.042423
      5.690301  8.535452  2.845151     0.004263    0.065253   -0.116646
      0.000000  2.845151  8.535452    -0.004263   -0.065253    0.116646
      5.690301  2.845151  8.535452    -0.004263   -0.040303    0.042423
      0.000000  8.535452  8.535452     0.032832   -0.065253   -0.042423
      5.690301  8.535452  8.535452     0.032832   -0.040303   -0.116646
      2.845151  0.000000  2.845151     0.045614   -0.038738   -0.063771
      8.535452  0.000000  2.845151     0.045614   -0.066819   -0.009571
      2.845151  5.690301  2.845151    -0.017044   -0.038738    0.009571
      8.535452  5.690301  2.845151    -0.017044   -0.066819    0.063771
      2.845151  0.000000  8.535452     0.017044    0.066819   -0.063771
      8.535452  0.000000  8.535452     0.017044    0.038738   -0.009571
      2.845151  5.690301  8.535452    -0.045614    0.066819    0.009571
      8.535452  5.690301  8.535452    -0.045614    0.038738    0.063771
      2.845151  2.845151  0.000000    -0.066997    0.079289   -0.052435
      8.535452  2.845151  0.000000    -0.066997    0.107370   -0.106635
      2.845151  8.535452  0.000000    -0.104092    0.079289    0.106635
      8.535452  8.535452  0.000000    -0.104092    0.107370    0.052435
      2.845151  2.845151  5.690301     0.104092   -0.107370   -0.052435
      8.535452  2.845151  5.690301     0.104092   -0.079289   -0.106635
      2.845151  8.535452  5.690301     0.066997   -0.107370    0.106635
      8.535452  8.535452  5.690301     0.066997   -0.079289    0.052435
      2.845151  2.845151  2.845151     0.033653    0.039707    0.053746
      8.535452  2.845151  2.845151     0.033653    0.068489    0.109301
      2.845151  8.535452  2.845151    -0.004369    0.039707   -0.109301
      8.535452  8.535452  2.845151    -0.004369    0.068489   -0.053746
      2.845151  2.845151  8.535452     0.004369   -0.068489    0.053746
      8.535452  2.845151  8.535452     0.004369   -0.039707    0.109301
      2.845151  8.535452  8.535452    -0.033653   -0.068489   -0.109301
      8.535452  8.535452  8.535452    -0.033653   -0.039707   -0.053746
      2.845151  0.000000  0.000000    -0.055571   -0.081272    0.065365
      8.535452  0.000000  0.000000    -0.055571   -0.110055    0.009810
      2.845151  5.690301  0.000000    -0.119796   -0.081272   -0.009810
      8.535452  5.690301  0.000000    -0.119796   -0.110055   -0.065365
      2.845151  0.000000  5.690301     0.119796    0.110055    0.065365
      8.535452  0.000000  5.690301     0.119796    0.081272    0.009810
      2.845151  5.690301  5.690301     0.055571    0.110055   -0.009810
      8.535452  5.690301  5.690301     0.055571    0.081272   -0.065365
      0.000000  2.845151  0.000000     0.068673    0.082876   -0.119563
      5.690301  2.845151  0.000000     0.068673    0.108450   -0.043484
      0.000000  8.535452  0.000000     0.106695    0.082876    0.043484
      5.690301  8.535452  0.000000     0.106695    0.108450    0.119563
      0.000000  2.845151  5.690301    -0.106695   -0.108450   -0.119563
      5.690301  2.845151  5.690301    -0.106695   -0.082876   -0.043484
      0.000000  8.535452  5.690301    -0.068673   -0.108450    0.043484
      5.690301  8.535452  5.690301    -0.068673   -0.082876    0.119563
      0.000000  0.000000  2.845151    -0.046754   -0.041311    0.000452
      5.690301  0.000000  2.845151    -0.046754   -0.066885   -0.075627
      0.000000  5.690301  2.845151     0.017470   -0.041311    0.075627
      5.690301  5.690301  2.845151     0.017470   -0.066885   -0.000452
      0.000000  0.000000  8.535452    -0.017470    0.066885    0.000452
      5.690301  0.000000  8.535452    -0.017470    0.041311   -0.075627
      0.000000  5.690301  8.535452     0.046754    0.066885    0.075627
      5.690301  5.690301  8.535452     0.046754    0.041311   -0.000452

  42 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.111908   -0.021717   -0.002340
      5.690301  0.000000  0.000000    -0.111908    0.021717    0.002340
      0.000000  5.690301  0.000000     0.111908   -0.021717    0.002340
      5.690301  5.690301  0.000000     0.111908    0.021717   -0.002340
      0.000000  0.000000  5.690301     0.111908    0.021717   -0.002340
      5.690301  0.000000  5.690301     0.111908   -0.021717    0.002340
      0.000000  5.690301  5.690301    -0.111908    0.021717    0.002340
      5.690301  5.690301  5.690301    -0.111908   -0.021717   -0.002340
      0.000000  2.845151  2.845151    -0.167697   -0.091905   -0.047018
      5.690301  2.845151  2.845151    -0.167697    0.091905    0.047018
      0.000000  8.535452  2.845151     0.167697   -0.091905    0.047018
      5.690301  8.535452  2.845151     0.167697    0.091905   -0.047018
      0.000000  2.845151  8.535452     0.167697    0.091905   -0.047018
      5.690301  2.845151  8.535452     0.167697   -0.091905    0.047018
      0.000000  8.535452  8.535452    -0.167697    0.091905    0.047018
      5.690301  8.535452  8.535452    -0.167697   -0.091905   -0.047018
      2.845151  0.000000  2.845151     0.048446   -0.042341    0.051322
      8.535452  0.000000  2.845151     0.048446    0.042341   -0.051322
      2.845151  5.690301  2.845151    -0.048446   -0.042341   -0.051322
      8.535452  5.690301  2.845151    -0.048446    0.042341    0.051322
      2.845151  0.000000  8.535452    -0.048446    0.042341    0.051322
      8.535452  0.000000  8.535452    -0.048446   -0.042341   -0.051322
      2.845151  5.690301  8.535452     0.048446    0.042341   -0.051322
      8.535452  5.690301  8.535452     0.048446   -0.042341    0.051322
      2.845151  2.845151  0.000000     0.077785    0.051247    0.010052
      8.535452  2.845151  0.000000     0.077785   -0.051247   -0.010052
      2.845151  8.535452  0.000000    -0.077785    0.051247   -0.010052
      8.535452  8.535452  0.000000    -0.077785   -0.051247    0.010052
      2.845151  2.845151  5.690301    -0.077785   -0.051247    0.010052
      8.535452  2.845151  5.690301    -0.077785    0.051247   -0.010052
      2.845151  8.535452  5.690301     0.077785   -0.051247   -0.010052
      8.535452  8.535452  5.690301     0.077785    0.051247    0.010052
      2.845151  2.845151  2.845151     0.155198    0.039185   -0.009303
      8.535452  2.845151  2.845151     0.155198   -0.039185    0.009303
      2.845151  8.535452  2.845151    -0.155198    0.039185    0.009303
      8.535452  8.535452  2.845151    -0.155198   -0.039185   -0.009303
      2.845151  2.845151  8.535452    -0.155198   -0.039185   -0.009303
      8.535452  2.845151  8.535452    -0.155198    0.039185    0.009303
      2.845151  8.535452  8.535452     0.155198   -0.039185    0.009303
      8.535452  8.535452  8.535452     0.155198    0.039185   -0.009303
      2.845151  0.000000  0.000000     0.103567   -0.047427   -0.047497
      8.535452  0.000000  0.000000     0.103567    0.047427    0.047497
      2.845151  5.690301  0.000000    -0.103567   -0.047427    0.047497
      8.535452  5.690301  0.000000    -0.103567    0.047427   -0.047497
      2.845151  0.000000  5.690301    -0.103567    0.047427   -0.047497
      8.535452  0.000000  5.690301    -0.103567   -0.047427    0.047497
      2.845151  5.690301  5.690301     0.103567    0.047427    0.047497
      8.535452  5.690301  5.690301     0.103567   -0.047427   -0.047497
      0.000000  2.845151  0.000000    -0.071987    0.020099    0.043513
      5.690301  2.845151  0.000000    -0.071987   -0.020099   -0.043513
      0.000000  8.535452  0.000000     0.071987    0.020099   -0.043513
      5.690301  8.535452  0.000000     0.071987   -0.020099    0.043513
      0.000000  2.845151  5.690301     0.071987   -0.020099    0.043513
      5.690301  2.845151  5.690301     0.071987    0.020099   -0.043513
      0.000000  8.535452  5.690301    -0.071987   -0.020099   -0.043513
      5.690301  8.535452  5.690301    -0.071987    0.020099    0.043513
      0.000000  0.000000  2.845151    -0.044835    0.085055    0.002165
      5.690301  0.000000  2.845151    -0.044835   -0.085055   -0.002165
      0.000000  5.690301  2.845151     0.044835    0.085055   -0.002165
      5.690301  5.690301  2.845151     0.044835   -0.085055    0.002165
      0.000000  0.000000  8.535452     0.044835   -0.085055    0.002165
      5.690301  0.000000  8.535452     0.044835    0.085055   -0.002165
      0.000000  5.690301  8.535452    -0.044835   -0.085055   -0.002165
      5.690301  5.690301  8.535452    -0.044835    0.085055    0.002165

  43 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.108921    0.040983   -0.012697
      5.690301  0.000000  0.000000    -0.108921   -0.040983    0.012697
      0.000000  5.690301  0.000000     0.108921    0.040983    0.012697
      5.690301  5.690301  0.000000     0.108921   -0.040983   -0.012697
      0.000000  0.000000  5.690301     0.108921   -0.040983   -0.012697
      5.690301  0.000000  5.690301     0.108921    0.040983    0.012697
      0.000000  5.690301  5.690301    -0.108921   -0.040983    0.012697
      5.690301  5.690301  5.690301    -0.108921    0.040983   -0.012697
      0.000000  2.845151  2.845151    -0.004237    0.093659    0.062865
      5.690301  2.845151  2.845151    -0.004237   -0.093659   -0.062865
      0.000000  8.535452  2.845151     0.004237    0.093659   -0.062865
      5.690301  8.535452  2.845151     0.004237   -0.093659    0.062865
      0.000000  2.845151  8.535452     0.004237   -0.093659    0.062865
      5.690301  2.845151  8.535452     0.004237    0.093659   -0.062865
      0.000000  8.535452  8.535452    -0.004237   -0.093659   -0.062865
      5.690301  8.535452  8.535452    -0.004237    0.093659    0.062865
      2.845151  0.000000  2.845151    -0.068338    0.053457    0.050313
      8.535452  0.000000  2.845151    -0.068338   -0.053457   -0.050313
      2.845151  5.690301  2.845151     0.068338    0.053457   -0.050313
      8.535452  5.690301  2.845151     0.068338   -0.053457    0.050313
      2.845151  0.000000  8.535452     0.068338   -0.053457    0.050313
      8.535452  0.000000  8.535452     0.068338    0.053457   -0.050313
      2.845151  5.690301  8.535452    -0.068338   -0.053457   -0.050313
      8.535452  5.690301  8.535452    -0.068338    0.053457    0.050313
      2.845151  2.845151  0.000000     0.116427   -0.130561    0.014983
      8.535452  2.845151  0.000000     0.116427    0.130561   -0.014983
      2.845151  8.535452  0.000000    -0.116427   -0.130561   -0.014983
      8.535452  8.535452  0.000000    -0.116427    0.130561    0.014983
      2.845151  2.845151  5.690301    -0.116427    0.130561    0.014983
      8.535452  2.845151  5.690301    -0.116427   -0.130561   -0.014983
      2.845151  8.535452  5.690301     0.116427    0.130561   -0.014983
      8.535452  8.535452  5.690301     0.116427   -0.130561    0.014983
      2.845151  2.845151  2.845151     0.003921   -0.049473   -0.013866
      8.535452  2.845151  2.845151     0.003921    0.049473    0.013866
      2.845151  8.535452  2.845151    -0.003921   -0.049473    0.013866
      8.535452  8.535452  2.845151    -0.003921    0.049473   -0.013866
      2.845151  2.845151  8.535452    -0.003921    0.049473   -0.013866
      8.535452  2.845151  8.535452    -0.003921   -0.049473    0.013866
      2.845151  8.535452  8.535452     0.003921    0.049473    0.013866
      8.535452  8.535452  8.535452     0.003921   -0.049473   -0.013866
      2.845151  0.000000  0.000000     0.100802    0.120830   -0.046563
      8.535452  0.000000  0.000000     0.100802   -0.120830    0.046563
      2.845151  5.690301  0.000000    -0.100802    0.120830    0.046563
      8.535452  5.690301  0.000000    -0.100802   -0.120830   -0.046563
      2.845151  0.000000  5.690301    -0.100802   -0.120830   -0.046563
      8.535452  0.000000  5.690301    -0.100802    0.120830    0.046563
      2.845151  5.690301  5.690301     0.100802   -0.120830    0.046563
      8.535452  5.690301  5.690301     0.100802    0.120830   -0.046563
      0.000000  2.845151  0.000000    -0.107749   -0.037928   -0.058179
      5.690301  2.845151  0.000000    -0.107749    0.037928    0.058179
      0.000000  8.535452  0.000000     0.107749   -0.037928    0.058179
      5.690301  8.535452  0.000000     0.107749    0.037928   -0.058179
      0.000000  2.845151  5.690301     0.107749    0.037928   -0.058179
      5.690301  2.845151  5.690301     0.107749   -0.037928    0.058179
      0.000000  8.535452  5.690301    -0.107749    0.037928    0.058179
      5.690301  8.535452  5.690301    -0.107749   -0.037928   -0.058179
      0.000000  0.000000  2.845151     0.063244   -0.086678    0.011751
      5.690301  0.000000  2.845151     0.063244    0.086678   -0.011751
      0.000000  5.690301  2.845151    -0.063244   -0.086678   -0.011751
      5.690301  5.690301  2.845151    -0.063244    0.086678    0.011751
      0.000000  0.000000  8.535452    -0.063244    0.086678    0.011751
      5.690301  0.000000  8.535452    -0.063244   -0.086678   -0.011751
      0.000000  5.690301  8.535452     0.063244    0.086678   -0.011751
      5.690301  5.690301  8.535452     0.063244   -0.086678    0.011751

  44 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.028893    0.038830   -0.033420
      5.690301  0.000000  0.000000    -0.028893   -0.038830    0.033420
      0.000000  5.690301  0.000000     0.028893    0.038830    0.033420
      5.690301  5.690301  0.000000     0.028893   -0.038830   -0.033420
      0.000000  0.000000  5.690301     0.028893   -0.038830   -0.033420
      5.690301  0.000000  5.690301     0.028893    0.038830    0.033420
      0.000000  5.690301  5.690301    -0.028893   -0.038830    0.033420
      5.690301  5.690301  5.690301    -0.028893    0.038830   -0.033420
      0.000000  2.845151  2.845151    -0.044192   -0.075716    0.084169
      5.690301  2.845151  2.845151    -0.044192    0.075716   -0.084169
      0.000000  8.535452  2.845151     0.044192   -0.075716   -0.084169
      5.690301  8.535452  2.845151     0.044192    0.075716    0.084169
      0.000000  2.845151  8.535452     0.044192    0.075716    0.084169
      5.690301  2.845151  8.535452     0.044192   -0.075716   -0.084169
      0.000000  8.535452  8.535452    -0.044192    0.075716   -0.084169
      5.690301  8.535452  8.535452    -0.044192   -0.075716    0.084169
      2.845151  0.000000  2.845151    -0.175727    0.017695   -0.095916
      8.535452  0.000000  2.845151    -0.175727   -0.017695    0.095916
      2.845151  5.690301  2.845151     0.175727    0.017695    0.095916
      8.535452  5.690301  2.845151     0.175727   -0.017695   -0.095916
      2.845151  0.000000  8.535452     0.175727   -0.017695   -0.095916
      8.535452  0.000000  8.535452     0.175727    0.017695    0.095916
      2.845151  5.690301  8.535452    -0.175727   -0.017695    0.095916
      8.535452  5.690301  8.535452    -0.175727    0.017695   -0.095916
      2.845151  2.845151  0.000000    -0.018351    0.065787   -0.063594
      8.535452  2.845151  0.000000    -0.018351   -0.065787    0.063594
      2.845151  8.535452  0.000000     0.018351    0.065787    0.063594
      8.535452  8.535452  0.000000     0.018351   -0.065787   -0.063594
      2.845151  2.845151  5.690301     0.018351   -0.065787   -0.063594
      8.535452  2.845151  5.690301     0.018351    0.065787    0.063594
      2.845151  8.535452  5.690301    -0.018351   -0.065787    0.063594
      8.535452  8.535452  5.690301    -0.018351    0.065787   -0.063594
      2.845151  2.845151  2.845151     0.040898   -0.016376    0.058854
      8.535452  2.845151  2.845151     0.040898    0.016376   -0.058854
      2.845151  8.535452  2.845151    -0.040898   -0.016376   -0.058854
      8.535452  8.535452  2.845151    -0.040898    0.016376    0.058854
      2.845151  2.845151  8.535452    -0.040898    0.016376    0.058854
      8.535452  2.845151  8.535452    -0.040898   -0.016376   -0.058854
      2.845151  8.535452  8.535452     0.040898    0.016376   -0.058854
      8.535452  8.535452  8.535452     0.040898   -0.016376    0.058854
      2.845151  0.000000  0.000000     0.026739   -0.060883    0.088767
      8.535452  0.000000  0.000000     0.026739    0.060883   -0.088767
      2.845151  5.690301  0.000000    -0.026739   -0.060883   -0.088767
      8.535452  5.690301  0.000000    -0.026739    0.060883    0.088767
      2.845151  0.000000  5.690301    -0.026739    0.060883    0.088767
      8.535452  0.000000  5.690301    -0.026739   -0.060883   -0.088767
      2.845151  5.690301  5.690301     0.026739    0.060883   -0.088767
      8.535452  5.690301  5.690301     0.026739   -0.060883    0.088767
      0.000000  2.845151  0.000000     0.016983   -0.035936   -0.077895
      5.690301  2.845151  0.000000     0.016983    0.035936    0.077895
      0.000000  8.535452  0.000000    -0.016983   -0.035936    0.077895
      5.690301  8.535452  0.000000    -0.016983    0.035936   -0.077895
      0.000000  2.845151  5.690301    -0.016983    0.035936   -0.077895
      5.690301  2.845151  5.690301    -0.016983   -0.035936    0.077895
      0.000000  8.535452  5.690301     0.016983    0.035936    0.077895
      5.690301  8.535452  5.690301     0.016983   -0.035936   -0.077895
      0.000000  0.000000  2.845151     0.162629    0.070073    0.030929
      5.690301  0.000000  2.845151     0.162629   -0.070073   -0.030929
      0.000000  5.690301  2.845151    -0.162629    0.070073   -0.030929
      5.690301  5.690301  2.845151    -0.162629   -0.070073    0.030929
      0.000000  0.000000  8.535452    -0.162629   -0.070073    0.030929
      5.690301  0.000000  8.535452    -0.162629    0.070073   -0.030929
      0.000000  5.690301  8.535452     0.162629   -0.070073   -0.030929
      5.690301  5.690301  8.535452     0.162629    0.070073    0.030929

  45 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.004188    0.165455    0.041773
      5.690301  0.000000  0.000000     0.004188   -0.165455   -0.041773
      0.000000  5.690301  0.000000    -0.004188    0.165455   -0.041773
      5.690301  5.690301  0.000000    -0.004188   -0.165455    0.041773
      0.000000  0.000000  5.690301    -0.004188   -0.165455    0.041773
      5.690301  0.000000  5.690301    -0.004188    0.165455   -0.041773
      0.000000  5.690301  5.690301     0.004188   -0.165455   -0.041773
      5.690301  5.690301  5.690301     0.004188    0.165455    0.041773
      0.000000  2.845151  2.845151    -0.049687    0.014077    0.077862
      5.690301  2.845151  2.845151    -0.049687   -0.014077   -0.077862
      0.000000  8.535452  2.845151     0.049687    0.014077   -0.077862
      5.690301  8.535452  2.845151     0.049687   -0.014077    0.077862
      0.000000  2.845151  8.535452     0.049687   -0.014077    0.077862
      5.690301  2.845151  8.535452     0.049687    0.014077   -0.077862
      0.000000  8.535452  8.535452    -0.049687   -0.014077   -0.077862
      5.690301  8.535452  8.535452    -0.049687    0.014077    0.077862
      2.845151  0.000000  2.845151     0.136640    0.037622   -0.092916
      8.535452  0.000000  2.845151     0.136640   -0.037622    0.092916
      2.845151  5.690301  2.845151    -0.136640    0.037622    0.092916
      8.535452  5.690301  2.845151    -0.136640   -0.037622   -0.092916
      2.845151  0.000000  8.535452    -0.136640   -0.037622   -0.092916
      8.535452  0.000000  8.535452    -0.136640    0.037622    0.092916
      2.845151  5.690301  8.535452     0.136640   -0.037622    0.092916
      8.535452  5.690301  8.535452     0.136640    0.037622   -0.092916
      2.845151  2.845151  0.000000     0.006904    0.004837   -0.025960
      8.535452  2.845151  0.000000     0.006904   -0.004837    0.025960
      2.845151  8.535452  0.000000    -0.006904    0.004837    0.025960
      8.535452  8.535452  0.000000    -0.006904   -0.004837   -0.025960
      2.845151  2.845151  5.690301    -0.006904   -0.004837   -0.025960
      8.535452  2.845151  5.690301    -0.006904    0.004837    0.025960
      2.845151  8.535452  5.690301     0.006904   -0.004837    0.025960
      8.535452  8.535452  5.690301     0.006904    0.004837   -0.025960
      2.845151  2.845151  2.845151     0.045983   -0.034818    0.024026
      8.535452  2.845151  2.845151     0.045983    0.034818   -0.024026
      2.845151  8.535452  2.845151    -0.045983   -0.034818   -0.024026
      8.535452  8.535452  2.845151    -0.045983    0.034818    0.024026
      2.845151  2.845151  8.535452    -0.045983    0.034818    0.024026
      8.535452  2.845151  8.535452    -0.045983   -0.034818   -0.024026
      2.845151  8.535452  8.535452     0.045983    0.034818   -0.024026
      8.535452  8.535452  8.535452     0.045983   -0.034818    0.024026
      2.845151  0.000000  0.000000    -0.003876   -0.004477    0.085990
      8.535452  0.000000  0.000000    -0.003876    0.004477   -0.085990
      2.845151  5.690301  0.000000     0.003876   -0.004477   -0.085990
      8.535452  5.690301  0.000000     0.003876    0.004477    0.085990
      2.845151  0.000000  5.690301     0.003876    0.004477    0.085990
      8.535452  0.000000  5.690301     0.003876   -0.004477   -0.085990
      2.845151  5.690301  5.690301    -0.003876    0.004477   -0.085990
      8.535452  5.690301  5.690301    -0.003876   -0.004477    0.085990
      0.000000  2.845151  0.000000    -0.006389   -0.153123   -0.072058
      5.690301  2.845151  0.000000    -0.006389    0.153123    0.072058
      0.000000  8.535452  0.000000     0.006389   -0.153123    0.072058
      5.690301  8.535452  0.000000     0.006389    0.153123   -0.072058
      0.000000  2.845151  5.690301     0.006389    0.153123   -0.072058
      5.690301  2.845151  5.690301     0.006389   -0.153123    0.072058
      0.000000  8.535452  5.690301    -0.006389    0.153123    0.072058
      5.690301  8.535452  5.690301    -0.006389   -0.153123   -0.072058
      0.000000  0.000000  2.845151    -0.126455   -0.013028   -0.038659
      5.690301  0.000000  2.845151    -0.126455    0.013028    0.038659
      0.000000  5.690301  2.845151     0.126455   -0.013028    0.038659
      5.690301  5.690301  2.845151     0.126455    0.013028   -0.038659
      0.000000  0.000000  8.535452     0.126455    0.013028   -0.038659
      5.690301  0.000000  8.535452     0.126455   -0.013028    0.038659
      0.000000  5.690301  8.535452    -0.126455    0.013028    0.038659
      5.690301  5.690301  8.535452    -0.126455   -0.013028   -0.038659

  46 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.022524    0.092732   -0.003584
      5.690301  0.000000  0.000000    -0.022524   -0.092732    0.003584
      0.000000  5.690301  0.000000     0.022524    0.092732    0.003584
      5.690301  5.690301  0.000000     0.022524   -0.092732   -0.003584
      0.000000  0.000000  5.690301     0.022524   -0.092732   -0.003584
      5.690301  0.000000  5.690301     0.022524    0.092732    0.003584
      0.000000  5.690301  5.690301    -0.022524   -0.092732    0.003584
      5.690301  5.690301  5.690301    -0.022524    0.092732   -0.003584
      0.000000  2.845151  2.845151     0.074099   -0.060459   -0.084835
      5.690301  2.845151  2.845151     0.074099    0.060459    0.084835
      0.000000  8.535452  2.845151    -0.074099   -0.060459    0.084835
      5.690301  8.535452  2.845151    -0.074099    0.060459   -0.084835
      0.000000  2.845151  8.535452    -0.074099    0.060459   -0.084835
      5.690301  2.845151  8.535452    -0.074099   -0.060459    0.084835
      0.000000  8.535452  8.535452     0.074099    0.060459    0.084835
      5.690301  8.535452  8.535452     0.074099   -0.060459   -0.084835
      2.845151  0.000000  2.845151    -0.006665    0.139323    0.113807
      8.535452  0.000000  2.845151    -0.006665   -0.139323   -0.113807
      2.845151  5.690301  2.845151     0.006665    0.139323   -0.113807
      8.535452  5.690301  2.845151     0.006665   -0.139323    0.113807
      2.845151  0.000000  8.535452     0.006665   -0.139323    0.113807
      8.535452  0.000000  8.535452     0.006665    0.139323   -0.113807
      2.845151  5.690301  8.535452    -0.006665   -0.139323   -0.113807
      8.535452  5.690301  8.535452    -0.006665    0.139323    0.113807
      2.845151  2.845151  0.000000     0.004561    0.061443   -0.075271
      8.535452  2.845151  0.000000     0.004561   -0.061443    0.075271
      2.845151  8.535452  0.000000    -0.004561    0.061443    0.075271
      8.535452  8.535452  0.000000    -0.004561   -0.061443   -0.075271
      2.845151  2.845151  5.690301    -0.004561   -0.061443   -0.075271
      8.535452  2.845151  5.690301    -0.004561    0.061443    0.075271
      2.845151  8.535452  5.690301     0.004561   -0.061443    0.075271
      8.535452  8.535452  5.690301     0.004561    0.061443   -0.075271
      2.845151  2.845151  2.845151    -0.068576   -0.128939    0.069660
      8.535452  2.845151  2.845151    -0.068576    0.128939   -0.069660
      2.845151  8.535452  2.845151     0.068576   -0.128939   -0.069660
      8.535452  8.535452  2.845151     0.068576    0.128939    0.069660
      2.845151  2.845151  8.535452     0.068576    0.128939    0.069660
      8.535452  2.845151  8.535452     0.068576   -0.128939   -0.069660
      2.845151  8.535452  8.535452    -0.068576    0.128939   -0.069660
      8.535452  8.535452  8.535452    -0.068576   -0.128939    0.069660
      2.845151  0.000000  0.000000     0.020845   -0.056864   -0.105324
      8.535452  0.000000  0.000000     0.020845    0.056864    0.105324
      2.845151  5.690301  0.000000    -0.020845   -0.056864    0.105324
      8.535452  5.690301  0.000000    -0.020845    0.056864   -0.105324
      2.845151  0.000000  5.690301    -0.020845    0.056864   -0.105324
      8.535452  0.000000  5.690301    -0.020845   -0.056864    0.105324
      2.845151  5.690301  5.690301     0.020845    0.056864    0.105324
      8.535452  5.690301  5.690301     0.020845   -0.056864   -0.105324
      0.000000  2.845151  0.000000    -0.004221   -0.085821    0.078512
      5.690301  2.845151  0.000000    -0.004221    0.085821   -0.078512
      0.000000  8.535452  0.000000     0.004221   -0.085821   -0.078512
      5.690301  8.535452  0.000000     0.004221    0.085821    0.078512
      0.000000  2.845151  5.690301     0.004221    0.085821    0.078512
      5.690301  2.845151  5.690301     0.004221   -0.085821   -0.078512
      0.000000  8.535452  5.690301    -0.004221    0.085821   -0.078512
      5.690301  8.535452  5.690301    -0.004221   -0.085821    0.078512
      0.000000  0.000000  2.845151     0.006168    0.055953    0.003317
      5.690301  0.000000  2.845151     0.006168   -0.055953   -0.003317
      0.000000  5.690301  2.845151    -0.006168    0.055953   -0.003317
      5.690301  5.690301  2.845151    -0.006168   -0.055953    0.003317
      0.000000  0.000000  8.535452    -0.006168   -0.055953    0.003317
      5.690301  0.000000  8.535452    -0.006168    0.055953   -0.003317
      0.000000  5.690301  8.535452     0.006168   -0.055953   -0.003317
      5.690301  5.690301  8.535452     0.006168    0.055953    0.003317

  47 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.132706    0.012339   -0.022839
      5.690301  0.000000  0.000000    -0.132706   -0.012339    0.022839
      0.000000  5.690301  0.000000     0.132706    0.012339    0.022839
      5.690301  5.690301  0.000000     0.132706   -0.012339   -0.022839
      0.000000  0.000000  5.690301     0.132706   -0.012339   -0.022839
      5.690301  0.000000  5.690301     0.132706    0.012339    0.022839
      0.000000  5.690301  5.690301    -0.132706   -0.012339    0.022839
      5.690301  5.690301  5.690301    -0.132706    0.012339   -0.022839
      0.000000  2.845151  2.845151     0.139596    0.041869   -0.005323
      5.690301  2.845151  2.845151     0.139596   -0.041869    0.005323
      0.000000  8.535452  2.845151    -0.139596    0.041869    0.005323
      5.690301  8.535452  2.845151    -0.139596   -0.041869   -0.005323
      0.000000  2.845151  8.535452    -0.139596   -0.041869   -0.005323
      5.690301  2.845151  8.535452    -0.139596    0.041869    0.005323
      0.000000  8.535452  8.535452     0.139596   -0.041869    0.005323
      5.690301  8.535452  8.535452     0.139596    0.041869   -0.005323
      2.845151  0.000000  2.845151     0.029785   -0.100267   -0.051699
      8.535452  0.000000  2.845151     0.029785    0.100267    0.051699
      2.845151  5.690301  2.845151    -0.029785   -0.100267    0.051699
      8.535452  5.690301  2.845151    -0.029785    0.100267   -0.051699
      2.845151  0.000000  8.535452    -0.029785    0.100267   -0.051699
      8.535452  0.000000  8.535452    -0.029785   -0.100267    0.051699
      2.845151  5.690301  8.535452     0.029785    0.100267    0.051699
      8.535452  5.690301  8.535452     0.029785   -0.100267   -0.051699
      2.845151  2.845151  0.000000     0.050677    0.107223   -0.010005
      8.535452  2.845151  0.000000     0.050677   -0.107223    0.010005
      2.845151  8.535452  0.000000    -0.050677    0.107223    0.010005
      8.535452  8.535452  0.000000    -0.050677   -0.107223   -0.010005
      2.845151  2.845151  5.690301    -0.050677   -0.107223   -0.010005
      8.535452  2.845151  5.690301    -0.050677    0.107223    0.010005
      2.845151  8.535452  5.690301     0.050677   -0.107223    0.010005
      8.535452  8.535452  5.690301     0.050677    0.107223   -0.010005
      2.845151  2.845151  2.845151    -0.129191    0.092793    0.009259
      8.535452  2.845151  2.845151    -0.129191   -0.092793   -0.009259
      2.845151  8.535452  2.845151     0.129191    0.092793   -0.009259
      8.535452  8.535452  2.845151     0.129191   -0.092793    0.009259
      2.845151  2.845151  8.535452     0.129191   -0.092793    0.009259
      8.535452  2.845151  8.535452     0.129191    0.092793   -0.009259
      2.845151  8.535452  8.535452    -0.129191   -0.092793   -0.009259
      8.535452  8.535452  8.535452    -0.129191    0.092793    0.009259
      2.845151  0.000000  0.000000     0.122815   -0.099231    0.047845
      8.535452  0.000000  0.000000     0.122815    0.099231   -0.047845
      2.845151  5.690301  0.000000    -0.122815   -0.099231   -0.047845
      8.535452  5.690301  0.000000    -0.122815    0.099231    0.047845
      2.845151  0.000000  5.690301    -0.122815    0.099231    0.047845
      8.535452  0.000000  5.690301    -0.122815   -0.099231   -0.047845
      2.845151  5.690301  5.690301     0.122815    0.099231   -0.047845
      8.535452  5.690301  5.690301     0.122815   -0.099231    0.047845
      0.000000  2.845151  0.000000    -0.046900   -0.011419    0.004926
      5.690301  2.845151  0.000000    -0.046900    0.011419   -0.004926
      0.000000  8.535452  0.000000     0.046900   -0.011419   -0.004926
      5.690301  8.535452  0.000000     0.046900    0.011419    0.004926
      0.000000  2.845151  5.690301     0.046900    0.011419    0.004926
      5.690301  2.845151  5.690301     0.046900   -0.011419   -0.004926
      0.000000  8.535452  5.690301    -0.046900    0.011419   -0.004926
      5.690301  8.535452  5.690301    -0.046900   -0.011419    0.004926
      0.000000  0.000000  2.845151    -0.027565   -0.038749    0.021137
      5.690301  0.000000  2.845151    -0.027565    0.038749   -0.021137
      0.000000  5.690301  2.845151     0.027565   -0.038749   -0.021137
      5.690301  5.690301  2.845151     0.027565    0.038749    0.021137
      0.000000  0.000000  8.535452     0.027565    0.038749    0.021137
      5.690301  0.000000  8.535452     0.027565   -0.038749   -0.021137
      0.000000  5.690301  8.535452    -0.027565    0.038749   -0.021137
      5.690301  5.690301  8.535452    -0.027565   -0.038749    0.021137

  48 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.039634   -0.041089   -0.096715
      5.690301  0.000000  0.000000     0.039634    0.041089    0.096715
      0.000000  5.690301  0.000000    -0.039634   -0.041089    0.096715
      5.690301  5.690301  0.000000    -0.039634    0.041089   -0.096715
      0.000000  0.000000  5.690301    -0.039634    0.041089   -0.096715
      5.690301  0.000000  5.690301    -0.039634   -0.041089    0.096715
      0.000000  5.690301  5.690301     0.039634    0.041089    0.096715
      5.690301  5.690301  5.690301     0.039634   -0.041089   -0.096715
      0.000000  2.845151  2.845151    -0.021260    0.034980   -0.001111
      5.690301  2.845151  2.845151    -0.021260   -0.034980    0.001111
      0.000000  8.535452  2.845151     0.021260    0.034980    0.001111
      5.690301  8.535452  2.845151     0.021260   -0.034980   -0.001111
      0.000000  2.845151  8.535452     0.021260   -0.034980   -0.001111
      5.690301  2.845151  8.535452     0.021260    0.034980    0.001111
      0.000000  8.535452  8.535452    -0.021260   -0.034980    0.001111
      5.690301  8.535452  8.535452    -0.021260    0.034980   -0.001111
      2.845151  0.000000  2.845151     0.042895   -0.044966    0.006313
      8.535452  0.000000  2.845151     0.042895    0.044966   -0.006313
      2.845151  5.690301  2.845151    -0.042895   -0.044966   -0.006313
      8.535452  5.690301  2.845151    -0.042895    0.044966    0.006313
      2.845151  0.000000  8.535452    -0.042895    0.044966    0.006313
      8.535452  0.000000  8.535452    -0.042895   -0.044966   -0.006313
      2.845151  5.690301  8.535452     0.042895    0.044966   -0.006313
      8.535452  5.690301  8.535452     0.042895   -0.044966    0.006313
      2.845151  2.845151  0.000000     0.037063   -0.041317   -0.214614
      8.535452  2.845151  0.000000     0.037063    0.041317    0.214614
      2.845151  8.535452  0.000000    -0.037063   -0.041317    0.214614
      8.535452  8.535452  0.000000    -0.037063    0.041317   -0.214614
      2.845151  2.845151  5.690301    -0.037063    0.041317   -0.214614
      8.535452  2.845151  5.690301    -0.037063   -0.041317    0.214614
      2.845151  8.535452  5.690301     0.037063    0.041317    0.214614
      8.535452  8.535452  5.690301     0.037063   -0.041317   -0.214614
      2.845151  2.845151  2.845151     0.019675    0.041614    0.198618
      8.535452  2.845151  2.845151     0.019675   -0.041614   -0.198618
      2.845151  8.535452  2.845151    -0.019675    0.041614   -0.198618
      8.535452  8.535452  2.845151    -0.019675   -0.041614    0.198618
      2.845151  2.845151  8.535452    -0.019675   -0.041614    0.198618
      8.535452  2.845151  8.535452    -0.019675    0.041614   -0.198618
      2.845151  8.535452  8.535452     0.019675   -0.041614   -0.198618
      8.535452  8.535452  8.535452     0.019675    0.041614    0.198618
      2.845151  0.000000  0.000000    -0.036680    0.038238   -0.005842
      8.535452  0.000000  0.000000    -0.036680   -0.038238    0.005842
      2.845151  5.690301  0.000000     0.036680    0.038238    0.005842
      8.535452  5.690301  0.000000     0.036680   -0.038238   -0.005842
      2.845151  0.000000  5.690301     0.036680   -0.038238   -0.005842
      8.535452  0.000000  5.690301     0.036680    0.038238    0.005842
      2.845151  5.690301  5.690301    -0.036680   -0.038238    0.005842
      8.535452  5.690301  5.690301    -0.036680    0.038238   -0.005842
      0.000000  2.845151  0.000000    -0.034300    0.038027    0.001029
      5.690301  2.845151  0.000000    -0.034300   -0.038027   -0.001029
      0.000000  8.535452  0.000000     0.034300    0.038027   -0.001029
      5.690301  8.535452  0.000000     0.034300   -0.038027    0.001029
      0.000000  2.845151  5.690301     0.034300   -0.038027    0.001029
      5.690301  2.845151  5.690301     0.034300    0.038027   -0.001029
      0.000000  8.535452  5.690301    -0.034300   -0.038027   -0.001029
      5.690301  8.535452  5.690301    -0.034300    0.038027    0.001029
      0.000000  0.000000  2.845151    -0.039697   -0.032373    0.089507
      5.690301  0.000000  2.845151    -0.039697    0.032373   -0.089507
      0.000000  5.690301  2.845151     0.039697   -0.032373   -0.089507
      5.690301  5.690301  2.845151     0.039697    0.032373    0.089507
      0.000000  0.000000  8.535452     0.039697    0.032373    0.089507
      5.690301  0.000000  8.535452     0.039697   -0.032373   -0.089507
      0.000000  5.690301  8.535452    -0.039697    0.032373   -0.089507
      5.690301  5.690301  8.535452    -0.039697   -0.032373    0.089507

  49 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.004124    0.007916    0.044567
      5.690301  0.000000  0.000000     0.004124   -0.007916   -0.044567
      0.000000  5.690301  0.000000    -0.004124    0.007916   -0.044567
      5.690301  5.690301  0.000000    -0.004124   -0.007916    0.044567
      0.000000  0.000000  5.690301    -0.004124   -0.007916    0.044567
      5.690301  0.000000  5.690301    -0.004124    0.007916   -0.044567
      0.000000  5.690301  5.690301     0.004124   -0.007916   -0.044567
      5.690301  5.690301  5.690301     0.004124    0.007916    0.044567
      0.000000  2.845151  2.845151     0.077376   -0.162044   -0.052637
      5.690301  2.845151  2.845151     0.077376    0.162044    0.052637
      0.000000  8.535452  2.845151    -0.077376   -0.162044    0.052637
      5.690301  8.535452  2.845151    -0.077376    0.162044   -0.052637
      0.000000  2.845151  8.535452    -0.077376    0.162044   -0.052637
      5.690301  2.845151  8.535452    -0.077376   -0.162044    0.052637
      0.000000  8.535452  8.535452     0.077376    0.162044    0.052637
      5.690301  8.535452  8.535452     0.077376   -0.162044   -0.052637
      2.845151  0.000000  2.845151     0.005031   -0.032068   -0.079585
      8.535452  0.000000  2.845151     0.005031    0.032068    0.079585
      2.845151  5.690301  2.845151    -0.005031   -0.032068    0.079585
      8.535452  5.690301  2.845151    -0.005031    0.032068   -0.079585
      2.845151  0.000000  8.535452    -0.005031    0.032068   -0.079585
      8.535452  0.000000  8.535452    -0.005031   -0.032068    0.079585
      2.845151  5.690301  8.535452     0.005031    0.032068    0.079585
      8.535452  5.690301  8.535452     0.005031   -0.032068   -0.079585
      2.845151  2.845151  0.000000     0.073232   -0.131806   -0.011237
      8.535452  2.845151  0.000000     0.073232    0.131806    0.011237
      2.845151  8.535452  0.000000    -0.073232   -0.131806    0.011237
      8.535452  8.535452  0.000000    -0.073232    0.131806   -0.011237
      2.845151  2.845151  5.690301    -0.073232    0.131806   -0.011237
      8.535452  2.845151  5.690301    -0.073232   -0.131806    0.011237
      2.845151  8.535452  5.690301     0.073232    0.131806    0.011237
      8.535452  8.535452  5.690301     0.073232   -0.131806   -0.011237
      2.845151  2.845151  2.845151    -0.071609    0.029678    0.010399
      8.535452  2.845151  2.845151    -0.071609   -0.029678   -0.010399
      2.845151  8.535452  2.845151     0.071609    0.029678   -0.010399
      8.535452  8.535452  2.845151     0.071609   -0.029678    0.010399
      2.845151  2.845151  8.535452     0.071609   -0.029678    0.010399
      8.535452  2.845151  8.535452     0.071609    0.029678   -0.010399
      2.845151  8.535452  8.535452    -0.071609   -0.029678   -0.010399
      8.535452  8.535452  8.535452    -0.071609    0.029678    0.010399
      2.845151  0.000000  0.000000    -0.003816    0.121982    0.073653
      8.535452  0.000000  0.000000    -0.003816   -0.121982   -0.073653
      2.845151  5.690301  0.000000     0.003816    0.121982   -0.073653
      8.535452  5.690301  0.000000     0.003816   -0.121982    0.073653
      2.845151  0.000000  5.690301     0.003816   -0.121982    0.073653
      8.535452  0.000000  5.690301     0.003816    0.121982   -0.073653
      2.845151  5.690301  5.690301    -0.003816   -0.121982   -0.073653
      8.535452  5.690301  5.690301    -0.003816    0.121982    0.073653
      0.000000  2.845151  0.000000    -0.067774   -0.007326    0.048714
      5.690301  2.845151  0.000000    -0.067774    0.007326   -0.048714
      0.000000  8.535452  0.000000     0.067774   -0.007326   -0.048714
      5.690301  8.535452  0.000000     0.067774    0.007326    0.048714
      0.000000  2.845151  5.690301     0.067774    0.007326    0.048714
      5.690301  2.845151  5.690301     0.067774   -0.007326   -0.048714
      0.000000  8.535452  5.690301    -0.067774    0.007326   -0.048714
      5.690301  8.535452  5.690301    -0.067774   -0.007326    0.048714
      0.000000  0.000000  2.845151    -0.004656    0.149967   -0.041245
      5.690301  0.000000  2.845151    -0.004656   -0.149967    0.041245
      0.000000  5.690301  2.845151     0.004656    0.149967    0.041245
      5.690301  5.690301  2.845151     0.004656   -0.149967   -0.041245
      0.000000  0.000000  8.535452     0.004656   -0.149967   -0.041245
      5.690301  0.000000  8.535452     0.004656    0.149967    0.041245
      0.000000  5.690301  8.535452    -0.004656   -0.149967    0.041245
      5.690301  5.690301  8.535452    -0.004656    0.149967   -0.041245

  50 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.084345    0.121457   -0.006470
      5.690301  0.000000  0.000000     0.084345   -0.121457    0.006470
      0.000000  5.690301  0.000000    -0.084345    0.121457    0.006470
      5.690301  5.690301  0.000000    -0.084345   -0.121457   -0.006470
      0.000000  0.000000  5.690301    -0.084345   -0.121457   -0.006470
      5.690301  0.000000  5.690301    -0.084345    0.121457    0.006470
      0.000000  5.690301  5.690301     0.084345   -0.121457    0.006470
      5.690301  5.690301  5.690301     0.084345    0.121457   -0.006470
      0.000000  2.845151  2.845151    -0.042732    0.071108   -0.139916
      5.690301  2.845151  2.845151    -0.042732   -0.071108    0.139916
      0.000000  8.535452  2.845151     0.042732    0.071108    0.139916
      5.690301  8.535452  2.845151     0.042732   -0.071108   -0.139916
      0.000000  2.845151  8.535452     0.042732   -0.071108   -0.139916
      5.690301  2.845151  8.535452     0.042732    0.071108    0.139916
      0.000000  8.535452  8.535452    -0.042732   -0.071108    0.139916
      5.690301  8.535452  8.535452    -0.042732    0.071108   -0.139916
      2.845151  0.000000  2.845151    -0.080087   -0.084565   -0.018789
      8.535452  0.000000  2.845151    -0.080087    0.084565    0.018789
      2.845151  5.690301  2.845151     0.080087   -0.084565    0.018789
      8.535452  5.690301  2.845151     0.080087    0.084565   -0.018789
      2.845151  0.000000  8.535452     0.080087    0.084565   -0.018789
      8.535452  0.000000  8.535452     0.080087   -0.084565    0.018789
      2.845151  5.690301  8.535452    -0.080087    0.084565    0.018789
      8.535452  5.690301  8.535452    -0.080087   -0.084565   -0.018789
      2.845151  2.845151  0.000000     0.066062    0.014849    0.021495
      8.535452  2.845151  0.000000     0.066062   -0.014849   -0.021495
      2.845151  8.535452  0.000000    -0.066062    0.014849   -0.021495
      8.535452  8.535452  0.000000    -0.066062   -0.014849    0.021495
      2.845151  2.845151  5.690301    -0.066062   -0.014849    0.021495
      8.535452  2.845151  5.690301    -0.066062    0.014849   -0.021495
      2.845151  8.535452  5.690301     0.066062   -0.014849   -0.021495
      8.535452  8.535452  5.690301     0.066062    0.014849    0.021495
      2.845151  2.845151  2.845151     0.039547    0.078262   -0.019893
      8.535452  2.845151  2.845151     0.039547   -0.078262    0.019893
      2.845151  8.535452  2.845151    -0.039547    0.078262    0.019893
      8.535452  8.535452  2.845151    -0.039547   -0.078262   -0.019893
      2.845151  2.845151  8.535452    -0.039547   -0.078262   -0.019893
      8.535452  2.845151  8.535452    -0.039547    0.078262    0.019893
      2.845151  8.535452  8.535452     0.039547   -0.078262    0.019893
      8.535452  8.535452  8.535452     0.039547    0.078262   -0.019893
      2.845151  0.000000  0.000000    -0.078058   -0.013742    0.017388
      8.535452  0.000000  0.000000    -0.078058    0.013742   -0.017388
      2.845151  5.690301  0.000000     0.078058   -0.013742   -0.017388
      8.535452  5.690301  0.000000     0.078058    0.013742    0.017388
      2.845151  0.000000  5.690301     0.078058    0.013742    0.017388
      8.535452  0.000000  5.690301     0.078058   -0.013742   -0.017388
      2.845151  5.690301  5.690301    -0.078058    0.013742   -0.017388
      8.535452  5.690301  5.690301    -0.078058   -0.013742    0.017388
      0.000000  2.845151  0.000000    -0.061139   -0.112405    0.129487
      5.690301  2.845151  0.000000    -0.061139    0.112405   -0.129487
      0.000000  8.535452  0.000000     0.061139   -0.112405   -0.129487
      5.690301  8.535452  0.000000     0.061139    0.112405    0.129487
      0.000000  2.845151  5.690301     0.061139    0.112405    0.129487
      5.690301  2.845151  5.690301     0.061139   -0.112405   -0.129487
      0.000000  8.535452  5.690301    -0.061139    0.112405   -0.129487
      5.690301  8.535452  5.690301    -0.061139   -0.112405    0.129487
      0.000000  0.000000  2.845151     0.074118   -0.065808    0.005988
      5.690301  0.000000  2.845151     0.074118    0.065808   -0.005988
      0.000000  5.690301  2.845151    -0.074118   -0.065808   -0.005988
      5.690301  5.690301  2.845151    -0.074118    0.065808    0.005988
      0.000000  0.000000  8.535452    -0.074118    0.065808    0.005988
      5.690301  0.000000  8.535452    -0.074118   -0.065808   -0.005988
      0.000000  5.690301  8.535452     0.074118    0.065808   -0.005988
      5.690301  5.690301  8.535452     0.074118   -0.065808    0.005988

  51 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.023620    0.087007    0.019044
      5.690301  0.000000  0.000000     0.023620   -0.087007   -0.019044
      0.000000  5.690301  0.000000    -0.023620    0.087007   -0.019044
      5.690301  5.690301  0.000000    -0.023620   -0.087007    0.019044
      0.000000  0.000000  5.690301    -0.023620   -0.087007    0.019044
      5.690301  0.000000  5.690301    -0.023620    0.087007   -0.019044
      0.000000  5.690301  5.690301     0.023620   -0.087007   -0.019044
      5.690301  5.690301  5.690301     0.023620    0.087007    0.019044
      0.000000  2.845151  2.845151     0.025263   -0.058117    0.103245
      5.690301  2.845151  2.845151     0.025263    0.058117   -0.103245
      0.000000  8.535452  2.845151    -0.025263   -0.058117   -0.103245
      5.690301  8.535452  2.845151    -0.025263    0.058117    0.103245
      0.000000  2.845151  8.535452    -0.025263    0.058117    0.103245
      5.690301  2.845151  8.535452    -0.025263   -0.058117   -0.103245
      0.000000  8.535452  8.535452     0.025263    0.058117   -0.103245
      5.690301  8.535452  8.535452     0.025263   -0.058117    0.103245
      2.845151  0.000000  2.845151    -0.015200   -0.142319    0.146157
      8.535452  0.000000  2.845151    -0.015200    0.142319   -0.146157
      2.845151  5.690301  2.845151     0.015200   -0.142319   -0.146157
      8.535452  5.690301  2.845151     0.015200    0.142319    0.146157
      2.845151  0.000000  8.535452     0.015200    0.142319    0.146157
      8.535452  0.000000  8.535452     0.015200   -0.142319   -0.146157
      2.845151  5.690301  8.535452    -0.015200    0.142319   -0.146157
      8.535452  5.690301  8.535452    -0.015200   -0.142319    0.146157
      2.845151  2.845151  0.000000    -0.043260   -0.020288   -0.005874
      8.535452  2.845151  0.000000    -0.043260    0.020288    0.005874
      2.845151  8.535452  0.000000     0.043260   -0.020288    0.005874
      8.535452  8.535452  0.000000     0.043260    0.020288   -0.005874
      2.845151  2.845151  5.690301     0.043260    0.020288   -0.005874
      8.535452  2.845151  5.690301     0.043260   -0.020288    0.005874
      2.845151  8.535452  5.690301    -0.043260    0.020288    0.005874
      8.535452  8.535452  5.690301    -0.043260   -0.020288   -0.005874
      2.845151  2.845151  2.845151    -0.023380    0.131711    0.005436
      8.535452  2.845151  2.845151    -0.023380   -0.131711   -0.005436
      2.845151  8.535452  2.845151     0.023380    0.131711   -0.005436
      8.535452  8.535452  2.845151     0.023380   -0.131711    0.005436
      2.845151  2.845151  8.535452     0.023380   -0.131711    0.005436
      8.535452  2.845151  8.535452     0.023380    0.131711   -0.005436
      2.845151  8.535452  8.535452    -0.023380   -0.131711   -0.005436
      8.535452  8.535452  8.535452    -0.023380    0.131711    0.005436
      2.845151  0.000000  0.000000    -0.021859    0.018775   -0.135264
      8.535452  0.000000  0.000000    -0.021859   -0.018775    0.135264
      2.845151  5.690301  0.000000     0.021859    0.018775    0.135264
      8.535452  5.690301  0.000000     0.021859   -0.018775   -0.135264
      2.845151  0.000000  5.690301     0.021859   -0.018775   -0.135264
      8.535452  0.000000  5.690301     0.021859    0.018775    0.135264
      2.845151  5.690301  5.690301    -0.021859   -0.018775    0.135264
      8.535452  5.690301  5.690301    -0.021859    0.018775   -0.135264
      0.000000  2.845151  0.000000     0.040036   -0.080522   -0.095550
      5.690301  2.845151  0.000000     0.040036    0.080522    0.095550
      0.000000  8.535452  0.000000    -0.040036   -0.080522    0.095550
      5.690301  8.535452  0.000000    -0.040036    0.080522   -0.095550
      0.000000  2.845151  5.690301    -0.040036    0.080522   -0.095550
      5.690301  2.845151  5.690301    -0.040036   -0.080522    0.095550
      0.000000  8.535452  5.690301     0.040036    0.080522    0.095550
      5.690301  8.535452  5.690301     0.040036   -0.080522   -0.095550
      0.000000  0.000000  2.845151     0.014067    0.053785   -0.017625
      5.690301  0.000000  2.845151     0.014067   -0.053785    0.017625
      0.000000  5.690301  2.845151    -0.014067    0.053785    0.017625
      5.690301  5.690301  2.845151    -0.014067   -0.053785   -0.017625
      0.000000  0.000000  8.535452    -0.014067   -0.053785   -0.017625
      5.690301  0.000000  8.535452    -0.014067    0.053785    0.017625
      0.000000  5.690301  8.535452     0.014067   -0.053785    0.017625
      5.690301  5.690301  8.535452     0.014067    0.053785   -0.017625

  52 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.107724   -0.054055    0.088782
      5.690301  0.000000  0.000000     0.107724    0.054055   -0.088782
      0.000000  5.690301  0.000000    -0.107724   -0.054055   -0.088782
      5.690301  5.690301  0.000000    -0.107724    0.054055    0.088782
      0.000000  0.000000  5.690301    -0.107724    0.054055    0.088782
      5.690301  0.000000  5.690301    -0.107724   -0.054055   -0.088782
      0.000000  5.690301  5.690301     0.107724    0.054055   -0.088782
      5.690301  5.690301  5.690301     0.107724   -0.054055    0.088782
      0.000000  2.845151  2.845151     0.020745   -0.004730    0.079846
      5.690301  2.845151  2.845151     0.020745    0.004730   -0.079846
      0.000000  8.535452  2.845151    -0.020745   -0.004730   -0.079846
      5.690301  8.535452  2.845151    -0.020745    0.004730    0.079846
      0.000000  2.845151  8.535452    -0.020745    0.004730    0.079846
      5.690301  2.845151  8.535452    -0.020745   -0.004730   -0.079846
      0.000000  8.535452  8.535452     0.020745    0.004730   -0.079846
      5.690301  8.535452  8.535452     0.020745   -0.004730    0.079846
      2.845151  0.000000  2.845151    -0.004529    0.022062    0.024850
      8.535452  0.000000  2.845151    -0.004529   -0.022062   -0.024850
      2.845151  5.690301  2.845151     0.004529    0.022062   -0.024850
      8.535452  5.690301  2.845151     0.004529   -0.022062    0.024850
      2.845151  0.000000  8.535452     0.004529   -0.022062    0.024850
      8.535452  0.000000  8.535452     0.004529    0.022062   -0.024850
      2.845151  5.690301  8.535452    -0.004529   -0.022062   -0.024850
      8.535452  5.690301  8.535452    -0.004529    0.022062    0.024850
      2.845151  2.845151  0.000000     0.169580    0.090430   -0.005926
      8.535452  2.845151  0.000000     0.169580   -0.090430    0.005926
      2.845151  8.535452  0.000000    -0.169580    0.090430    0.005926
      8.535452  8.535452  0.000000    -0.169580   -0.090430   -0.005926
      2.845151  2.845151  5.690301    -0.169580   -0.090430   -0.005926
      8.535452  2.845151  5.690301    -0.169580    0.090430    0.005926
      2.845151  8.535452  5.690301     0.169580   -0.090430    0.005926
      8.535452  8.535452  5.690301     0.169580    0.090430   -0.005926
      2.845151  2.845151  2.845151    -0.019199   -0.020418    0.005484
      8.535452  2.845151  2.845151    -0.019199    0.020418   -0.005484
      2.845151  8.535452  2.845151     0.019199   -0.020418   -0.005484
      8.535452  8.535452  2.845151     0.019199    0.020418    0.005484
      2.845151  2.845151  8.535452     0.019199    0.020418    0.005484
      8.535452  2.845151  8.535452     0.019199   -0.020418   -0.005484
      2.845151  8.535452  8.535452    -0.019199    0.020418   -0.005484
      8.535452  8.535452  8.535452    -0.019199   -0.020418    0.005484
      2.845151  0.000000  0.000000    -0.099695   -0.083689   -0.022998
      8.535452  0.000000  0.000000    -0.099695    0.083689    0.022998
      2.845151  5.690301  0.000000     0.099695   -0.083689    0.022998
      8.535452  5.690301  0.000000     0.099695    0.083689   -0.022998
      2.845151  0.000000  5.690301     0.099695    0.083689   -0.022998
      8.535452  0.000000  5.690301     0.099695   -0.083689    0.022998
      2.845151  5.690301  5.690301    -0.099695    0.083689    0.022998
      8.535452  5.690301  5.690301    -0.099695   -0.083689   -0.022998
      0.000000  2.845151  0.000000    -0.156940    0.050026   -0.073895
      5.690301  2.845151  0.000000    -0.156940   -0.050026    0.073895
      0.000000  8.535452  0.000000     0.156940    0.050026    0.073895
      5.690301  8.535452  0.000000     0.156940   -0.050026   -0.073895
      0.000000  2.845151  5.690301     0.156940   -0.050026   -0.073895
      5.690301  2.845151  5.690301     0.156940    0.050026    0.073895
      0.000000  8.535452  5.690301    -0.156940   -0.050026    0.073895
      5.690301  8.535452  5.690301    -0.156940    0.050026   -0.073895
      0.000000  0.000000  2.845151     0.004191    0.004377   -0.082165
      5.690301  0.000000  2.845151     0.004191   -0.004377    0.082165
      0.000000  5.690301  2.845151    -0.004191    0.004377    0.082165
      5.690301  5.690301  2.845151    -0.004191   -0.004377   -0.082165
      0.000000  0.000000  8.535452    -0.004191   -0.004377   -0.082165
      5.690301  0.000000  8.535452    -0.004191    0.004377    0.082165
      0.000000  5.690301  8.535452     0.004191   -0.004377    0.082165
      5.690301  5.690301  8.535452     0.004191    0.004377   -0.082165

  53 f  =    4.880797 THz    30.666951 2PiTHz  162.805851 cm-1    20.185360 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.055762    0.023460   -0.210099
      5.690301  0.000000  0.000000     0.055762   -0.023460    0.210099
      0.000000  5.690301  0.000000    -0.055762    0.023460    0.210099
      5.690301  5.690301  0.000000    -0.055762   -0.023460   -0.210099
      0.000000  0.000000  5.690301    -0.055762   -0.023460   -0.210099
      5.690301  0.000000  5.690301    -0.055762    0.023460    0.210099
      0.000000  5.690301  5.690301     0.055762   -0.023460    0.210099
      5.690301  5.690301  5.690301     0.055762    0.023460   -0.210099
      0.000000  2.845151  2.845151     0.021407   -0.053246    0.037597
      5.690301  2.845151  2.845151     0.021407    0.053246   -0.037597
      0.000000  8.535452  2.845151    -0.021407   -0.053246   -0.037597
      5.690301  8.535452  2.845151    -0.021407    0.053246    0.037597
      0.000000  2.845151  8.535452    -0.021407    0.053246    0.037597
      5.690301  2.845151  8.535452    -0.021407   -0.053246   -0.037597
      0.000000  8.535452  8.535452     0.021407    0.053246   -0.037597
      5.690301  8.535452  8.535452     0.021407   -0.053246    0.037597
      2.845151  0.000000  2.845151     0.036083    0.023352    0.001390
      8.535452  0.000000  2.845151     0.036083   -0.023352   -0.001390
      2.845151  5.690301  2.845151    -0.036083    0.023352   -0.001390
      8.535452  5.690301  2.845151    -0.036083   -0.023352    0.001390
      2.845151  0.000000  8.535452    -0.036083   -0.023352    0.001390
      8.535452  0.000000  8.535452    -0.036083    0.023352   -0.001390
      2.845151  5.690301  8.535452     0.036083   -0.023352   -0.001390
      8.535452  5.690301  8.535452     0.036083    0.023352    0.001390
      2.845151  2.845151  0.000000     0.054980    0.012090    0.099020
      8.535452  2.845151  0.000000     0.054980   -0.012090   -0.099020
      2.845151  8.535452  0.000000    -0.054980    0.012090   -0.099020
      8.535452  8.535452  0.000000    -0.054980   -0.012090    0.099020
      2.845151  2.845151  5.690301    -0.054980   -0.012090    0.099020
      8.535452  2.845151  5.690301    -0.054980    0.012090   -0.099020
      2.845151  8.535452  5.690301     0.054980   -0.012090   -0.099020
      8.535452  8.535452  5.690301     0.054980    0.012090    0.099020
      2.845151  2.845151  2.845151    -0.019811   -0.021612   -0.091640
      8.535452  2.845151  2.845151    -0.019811    0.021612    0.091640
      2.845151  8.535452  2.845151     0.019811   -0.021612    0.091640
      8.535452  8.535452  2.845151     0.019811    0.021612   -0.091640
      2.845151  2.845151  8.535452     0.019811    0.021612   -0.091640
      8.535452  2.845151  8.535452     0.019811   -0.021612    0.091640
      2.845151  8.535452  8.535452    -0.019811    0.021612    0.091640
      8.535452  8.535452  8.535452    -0.019811   -0.021612   -0.091640
      2.845151  0.000000  0.000000    -0.051606   -0.011189   -0.001286
      8.535452  0.000000  0.000000    -0.051606    0.011189    0.001286
      2.845151  5.690301  0.000000     0.051606   -0.011189    0.001286
      8.535452  5.690301  0.000000     0.051606    0.011189   -0.001286
      2.845151  0.000000  5.690301     0.051606    0.011189   -0.001286
      8.535452  0.000000  5.690301     0.051606   -0.011189    0.001286
      2.845151  5.690301  5.690301    -0.051606    0.011189    0.001286
      8.535452  5.690301  5.690301    -0.051606   -0.011189   -0.001286
      0.000000  2.845151  0.000000    -0.050882   -0.021711   -0.034795
      5.690301  2.845151  0.000000    -0.050882    0.021711    0.034795
      0.000000  8.535452  0.000000     0.050882   -0.021711    0.034795
      5.690301  8.535452  0.000000     0.050882    0.021711   -0.034795
      0.000000  2.845151  5.690301     0.050882    0.021711   -0.034795
      5.690301  2.845151  5.690301     0.050882   -0.021711    0.034795
      0.000000  8.535452  5.690301    -0.050882    0.021711    0.034795
      5.690301  8.535452  5.690301    -0.050882   -0.021711   -0.034795
      0.000000  0.000000  2.845151    -0.033393    0.049278    0.194439
      5.690301  0.000000  2.845151    -0.033393   -0.049278   -0.194439
      0.000000  5.690301  2.845151     0.033393    0.049278   -0.194439
      5.690301  5.690301  2.845151     0.033393   -0.049278    0.194439
      0.000000  0.000000  8.535452     0.033393   -0.049278    0.194439
      5.690301  0.000000  8.535452     0.033393    0.049278   -0.194439
      0.000000  5.690301  8.535452    -0.033393   -0.049278   -0.194439
      5.690301  5.690301  8.535452    -0.033393    0.049278    0.194439

  54 f  =    4.856473 THz    30.514123 2PiTHz  161.994512 cm-1    20.084767 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.096120    0.016030   -0.086979
      5.690301  0.000000  0.000000     0.096120    0.016030   -0.086979
      0.000000  5.690301  0.000000     0.096120    0.016030   -0.086979
      5.690301  5.690301  0.000000     0.096120    0.016030   -0.086979
      0.000000  0.000000  5.690301     0.096120    0.016030   -0.086979
      5.690301  0.000000  5.690301     0.096120    0.016030   -0.086979
      0.000000  5.690301  5.690301     0.096120    0.016030   -0.086979
      5.690301  5.690301  5.690301     0.096120    0.016030   -0.086979
      0.000000  2.845151  2.845151    -0.096120   -0.014666    0.105622
      5.690301  2.845151  2.845151    -0.096120   -0.014666    0.105622
      0.000000  8.535452  2.845151    -0.096120   -0.014666    0.105622
      5.690301  8.535452  2.845151    -0.096120   -0.014666    0.105622
      0.000000  2.845151  8.535452    -0.096120   -0.014666    0.105622
      5.690301  2.845151  8.535452    -0.096120   -0.014666    0.105622
      0.000000  8.535452  8.535452    -0.096120   -0.014666    0.105622
      5.690301  8.535452  8.535452    -0.096120   -0.014666    0.105622
      2.845151  0.000000  2.845151     0.070366   -0.016030   -0.105622
      8.535452  0.000000  2.845151     0.070366   -0.016030   -0.105622
      2.845151  5.690301  2.845151     0.070366   -0.016030   -0.105622
      8.535452  5.690301  2.845151     0.070366   -0.016030   -0.105622
      2.845151  0.000000  8.535452     0.070366   -0.016030   -0.105622
      8.535452  0.000000  8.535452     0.070366   -0.016030   -0.105622
      2.845151  5.690301  8.535452     0.070366   -0.016030   -0.105622
      8.535452  5.690301  8.535452     0.070366   -0.016030   -0.105622
      2.845151  2.845151  0.000000    -0.070366    0.014666    0.086979
      8.535452  2.845151  0.000000    -0.070366    0.014666    0.086979
      2.845151  8.535452  0.000000    -0.070366    0.014666    0.086979
      8.535452  8.535452  0.000000    -0.070366    0.014666    0.086979
      2.845151  2.845151  5.690301    -0.070366    0.014666    0.086979
      8.535452  2.845151  5.690301    -0.070366    0.014666    0.086979
      2.845151  8.535452  5.690301    -0.070366    0.014666    0.086979
      8.535452  8.535452  5.690301    -0.070366    0.014666    0.086979
      2.845151  2.845151  2.845151     0.089766    0.014970   -0.081229
      8.535452  2.845151  2.845151     0.089766    0.014970   -0.081229
      2.845151  8.535452  2.845151     0.089766    0.014970   -0.081229
      8.535452  8.535452  2.845151     0.089766    0.014970   -0.081229
      2.845151  2.845151  8.535452     0.089766    0.014970   -0.081229
      8.535452  2.845151  8.535452     0.089766    0.014970   -0.081229
      2.845151  8.535452  8.535452     0.089766    0.014970   -0.081229
      8.535452  8.535452  8.535452     0.089766    0.014970   -0.081229
      2.845151  0.000000  0.000000    -0.089766   -0.013696    0.098640
      8.535452  0.000000  0.000000    -0.089766   -0.013696    0.098640
      2.845151  5.690301  0.000000    -0.089766   -0.013696    0.098640
      8.535452  5.690301  0.000000    -0.089766   -0.013696    0.098640
      2.845151  0.000000  5.690301    -0.089766   -0.013696    0.098640
      8.535452  0.000000  5.690301    -0.089766   -0.013696    0.098640
      2.845151  5.690301  5.690301    -0.089766   -0.013696    0.098640
      8.535452  5.690301  5.690301    -0.089766   -0.013696    0.098640
      0.000000  2.845151  0.000000     0.065714   -0.014970   -0.098640
      5.690301  2.845151  0.000000     0.065714   -0.014970   -0.098640
      0.000000  8.535452  0.000000     0.065714   -0.014970   -0.098640
      5.690301  8.535452  0.000000     0.065714   -0.014970   -0.098640
      0.000000  2.845151  5.690301     0.065714   -0.014970   -0.098640
      5.690301  2.845151  5.690301     0.065714   -0.014970   -0.098640
      0.000000  8.535452  5.690301     0.065714   -0.014970   -0.098640
      5.690301  8.535452  5.690301     0.065714   -0.014970   -0.098640
      0.000000  0.000000  2.845151    -0.065714    0.013696    0.081229
      5.690301  0.000000  2.845151    -0.065714    0.013696    0.081229
      0.000000  5.690301  2.845151    -0.065714    0.013696    0.081229
      5.690301  5.690301  2.845151    -0.065714    0.013696    0.081229
      0.000000  0.000000  8.535452    -0.065714    0.013696    0.081229
      5.690301  0.000000  8.535452    -0.065714    0.013696    0.081229
      0.000000  5.690301  8.535452    -0.065714    0.013696    0.081229
      5.690301  5.690301  8.535452    -0.065714    0.013696    0.081229

  55 f  =    4.856473 THz    30.514123 2PiTHz  161.994512 cm-1    20.084767 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.022956    0.061069    0.121442
      5.690301  0.000000  0.000000     0.022956    0.061069    0.121442
      0.000000  5.690301  0.000000     0.022956    0.061069    0.121442
      5.690301  5.690301  0.000000     0.022956    0.061069    0.121442
      0.000000  0.000000  5.690301     0.022956    0.061069    0.121442
      5.690301  0.000000  5.690301     0.022956    0.061069    0.121442
      0.000000  5.690301  5.690301     0.022956    0.061069    0.121442
      5.690301  5.690301  5.690301     0.022956    0.061069    0.121442
      0.000000  2.845151  2.845151    -0.022956   -0.047600    0.097392
      5.690301  2.845151  2.845151    -0.022956   -0.047600    0.097392
      0.000000  8.535452  2.845151    -0.022956   -0.047600    0.097392
      5.690301  8.535452  2.845151    -0.022956   -0.047600    0.097392
      0.000000  2.845151  8.535452    -0.022956   -0.047600    0.097392
      5.690301  2.845151  8.535452    -0.022956   -0.047600    0.097392
      0.000000  8.535452  8.535452    -0.022956   -0.047600    0.097392
      5.690301  8.535452  8.535452    -0.022956   -0.047600    0.097392
      2.845151  0.000000  2.845151    -0.051267   -0.061069   -0.097392
      8.535452  0.000000  2.845151    -0.051267   -0.061069   -0.097392
      2.845151  5.690301  2.845151    -0.051267   -0.061069   -0.097392
      8.535452  5.690301  2.845151    -0.051267   -0.061069   -0.097392
      2.845151  0.000000  8.535452    -0.051267   -0.061069   -0.097392
      8.535452  0.000000  8.535452    -0.051267   -0.061069   -0.097392
      2.845151  5.690301  8.535452    -0.051267   -0.061069   -0.097392
      8.535452  5.690301  8.535452    -0.051267   -0.061069   -0.097392
      2.845151  2.845151  0.000000     0.051267    0.047600   -0.121442
      8.535452  2.845151  0.000000     0.051267    0.047600   -0.121442
      2.845151  8.535452  0.000000     0.051267    0.047600   -0.121442
      8.535452  8.535452  0.000000     0.051267    0.047600   -0.121442
      2.845151  2.845151  5.690301     0.051267    0.047600   -0.121442
      8.535452  2.845151  5.690301     0.051267    0.047600   -0.121442
      2.845151  8.535452  5.690301     0.051267    0.047600   -0.121442
      8.535452  8.535452  5.690301     0.051267    0.047600   -0.121442
      2.845151  2.845151  2.845151     0.021439    0.057032    0.113415
      8.535452  2.845151  2.845151     0.021439    0.057032    0.113415
      2.845151  8.535452  2.845151     0.021439    0.057032    0.113415
      8.535452  8.535452  2.845151     0.021439    0.057032    0.113415
      2.845151  2.845151  8.535452     0.021439    0.057032    0.113415
      8.535452  2.845151  8.535452     0.021439    0.057032    0.113415
      2.845151  8.535452  8.535452     0.021439    0.057032    0.113415
      8.535452  8.535452  8.535452     0.021439    0.057032    0.113415
      2.845151  0.000000  0.000000    -0.021439   -0.044453    0.090954
      8.535452  0.000000  0.000000    -0.021439   -0.044453    0.090954
      2.845151  5.690301  0.000000    -0.021439   -0.044453    0.090954
      8.535452  5.690301  0.000000    -0.021439   -0.044453    0.090954
      2.845151  0.000000  5.690301    -0.021439   -0.044453    0.090954
      8.535452  0.000000  5.690301    -0.021439   -0.044453    0.090954
      2.845151  5.690301  5.690301    -0.021439   -0.044453    0.090954
      8.535452  5.690301  5.690301    -0.021439   -0.044453    0.090954
      0.000000  2.845151  0.000000    -0.047878   -0.057032   -0.090954
      5.690301  2.845151  0.000000    -0.047878   -0.057032   -0.090954
      0.000000  8.535452  0.000000    -0.047878   -0.057032   -0.090954
      5.690301  8.535452  0.000000    -0.047878   -0.057032   -0.090954
      0.000000  2.845151  5.690301    -0.047878   -0.057032   -0.090954
      5.690301  2.845151  5.690301    -0.047878   -0.057032   -0.090954
      0.000000  8.535452  5.690301    -0.047878   -0.057032   -0.090954
      5.690301  8.535452  5.690301    -0.047878   -0.057032   -0.090954
      0.000000  0.000000  2.845151     0.047878    0.044453   -0.113415
      5.690301  0.000000  2.845151     0.047878    0.044453   -0.113415
      0.000000  5.690301  2.845151     0.047878    0.044453   -0.113415
      5.690301  5.690301  2.845151     0.047878    0.044453   -0.113415
      0.000000  0.000000  8.535452     0.047878    0.044453   -0.113415
      5.690301  0.000000  8.535452     0.047878    0.044453   -0.113415
      0.000000  5.690301  8.535452     0.047878    0.044453   -0.113415
      5.690301  5.690301  8.535452     0.047878    0.044453   -0.113415

  56 f  =    4.856473 THz    30.514123 2PiTHz  161.994512 cm-1    20.084767 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.095621    0.118286    0.000000
      5.690301  0.000000  0.000000    -0.095621    0.118286    0.000000
      0.000000  5.690301  0.000000    -0.095621    0.118286    0.000000
      5.690301  5.690301  0.000000    -0.095621    0.118286    0.000000
      0.000000  0.000000  5.690301    -0.095621    0.118286    0.000000
      5.690301  0.000000  5.690301    -0.095621    0.118286    0.000000
      0.000000  5.690301  5.690301    -0.095621    0.118286    0.000000
      5.690301  5.690301  5.690301    -0.095621    0.118286    0.000000
      0.000000  2.845151  2.845151     0.095621   -0.000059    0.001624
      5.690301  2.845151  2.845151     0.095621   -0.000059    0.001624
      0.000000  8.535452  2.845151     0.095621   -0.000059    0.001624
      5.690301  8.535452  2.845151     0.095621   -0.000059    0.001624
      0.000000  2.845151  8.535452     0.095621   -0.000059    0.001624
      5.690301  2.845151  8.535452     0.095621   -0.000059    0.001624
      0.000000  8.535452  8.535452     0.095621   -0.000059    0.001624
      5.690301  8.535452  8.535452     0.095621   -0.000059    0.001624
      2.845151  0.000000  2.845151     0.101223   -0.118286   -0.001624
      8.535452  0.000000  2.845151     0.101223   -0.118286   -0.001624
      2.845151  5.690301  2.845151     0.101223   -0.118286   -0.001624
      8.535452  5.690301  2.845151     0.101223   -0.118286   -0.001624
      2.845151  0.000000  8.535452     0.101223   -0.118286   -0.001624
      8.535452  0.000000  8.535452     0.101223   -0.118286   -0.001624
      2.845151  5.690301  8.535452     0.101223   -0.118286   -0.001624
      8.535452  5.690301  8.535452     0.101223   -0.118286   -0.001624
      2.845151  2.845151  0.000000    -0.101223    0.000059    0.000000
      8.535452  2.845151  0.000000    -0.101223    0.000059    0.000000
      2.845151  8.535452  0.000000    -0.101223    0.000059    0.000000
      8.535452  8.535452  0.000000    -0.101223    0.000059    0.000000
      2.845151  2.845151  5.690301    -0.101223    0.000059    0.000000
      8.535452  2.845151  5.690301    -0.101223    0.000059    0.000000
      2.845151  8.535452  5.690301    -0.101223    0.000059    0.000000
      8.535452  8.535452  5.690301    -0.101223    0.000059    0.000000
      2.845151  2.845151  2.845151    -0.089300    0.110467    0.000000
      8.535452  2.845151  2.845151    -0.089300    0.110467    0.000000
      2.845151  8.535452  2.845151    -0.089300    0.110467    0.000000
      8.535452  8.535452  2.845151    -0.089300    0.110467    0.000000
      2.845151  2.845151  8.535452    -0.089300    0.110467    0.000000
      8.535452  2.845151  8.535452    -0.089300    0.110467    0.000000
      2.845151  8.535452  8.535452    -0.089300    0.110467    0.000000
      8.535452  8.535452  8.535452    -0.089300    0.110467    0.000000
      2.845151  0.000000  0.000000     0.089300   -0.000055    0.001516
      8.535452  0.000000  0.000000     0.089300   -0.000055    0.001516
      2.845151  5.690301  0.000000     0.089300   -0.000055    0.001516
      8.535452  5.690301  0.000000     0.089300   -0.000055    0.001516
      2.845151  0.000000  5.690301     0.089300   -0.000055    0.001516
      8.535452  0.000000  5.690301     0.089300   -0.000055    0.001516
      2.845151  5.690301  5.690301     0.089300   -0.000055    0.001516
      8.535452  5.690301  5.690301     0.089300   -0.000055    0.001516
      0.000000  2.845151  0.000000     0.094532   -0.110467   -0.001516
      5.690301  2.845151  0.000000     0.094532   -0.110467   -0.001516
      0.000000  8.535452  0.000000     0.094532   -0.110467   -0.001516
      5.690301  8.535452  0.000000     0.094532   -0.110467   -0.001516
      0.000000  2.845151  5.690301     0.094532   -0.110467   -0.001516
      5.690301  2.845151  5.690301     0.094532   -0.110467   -0.001516
      0.000000  8.535452  5.690301     0.094532   -0.110467   -0.001516
      5.690301  8.535452  5.690301     0.094532   -0.110467   -0.001516
      0.000000  0.000000  2.845151    -0.094532    0.000055    0.000000
      5.690301  0.000000  2.845151    -0.094532    0.000055    0.000000
      0.000000  5.690301  2.845151    -0.094532    0.000055    0.000000
      5.690301  5.690301  2.845151    -0.094532    0.000055    0.000000
      0.000000  0.000000  8.535452    -0.094532    0.000055    0.000000
      5.690301  0.000000  8.535452    -0.094532    0.000055    0.000000
      0.000000  5.690301  8.535452    -0.094532    0.000055    0.000000
      5.690301  5.690301  8.535452    -0.094532    0.000055    0.000000

  57 f  =    4.856473 THz    30.514123 2PiTHz  161.994512 cm-1    20.084767 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.025056   -0.076253    0.066744
      5.690301  0.000000  0.000000    -0.025056   -0.076253    0.066744
      0.000000  5.690301  0.000000    -0.025056   -0.076253    0.066744
      5.690301  5.690301  0.000000    -0.025056   -0.076253    0.066744
      0.000000  0.000000  5.690301    -0.025056   -0.076253    0.066744
      5.690301  0.000000  5.690301    -0.025056   -0.076253    0.066744
      0.000000  5.690301  5.690301    -0.025056   -0.076253    0.066744
      5.690301  5.690301  5.690301    -0.025056   -0.076253    0.066744
      0.000000  2.845151  2.845151     0.025056    0.119822    0.063006
      5.690301  2.845151  2.845151     0.025056    0.119822    0.063006
      0.000000  8.535452  2.845151     0.025056    0.119822    0.063006
      5.690301  8.535452  2.845151     0.025056    0.119822    0.063006
      0.000000  2.845151  8.535452     0.025056    0.119822    0.063006
      5.690301  2.845151  8.535452     0.025056    0.119822    0.063006
      0.000000  8.535452  8.535452     0.025056    0.119822    0.063006
      5.690301  8.535452  8.535452     0.025056    0.119822    0.063006
      2.845151  0.000000  2.845151     0.064496    0.076253   -0.063006
      8.535452  0.000000  2.845151     0.064496    0.076253   -0.063006
      2.845151  5.690301  2.845151     0.064496    0.076253   -0.063006
      8.535452  5.690301  2.845151     0.064496    0.076253   -0.063006
      2.845151  0.000000  8.535452     0.064496    0.076253   -0.063006
      8.535452  0.000000  8.535452     0.064496    0.076253   -0.063006
      2.845151  5.690301  8.535452     0.064496    0.076253   -0.063006
      8.535452  5.690301  8.535452     0.064496    0.076253   -0.063006
      2.845151  2.845151  0.000000    -0.064496   -0.119822   -0.066744
      8.535452  2.845151  0.000000    -0.064496   -0.119822   -0.066744
      2.845151  8.535452  0.000000    -0.064496   -0.119822   -0.066744
      8.535452  8.535452  0.000000    -0.064496   -0.119822   -0.066744
      2.845151  2.845151  5.690301    -0.064496   -0.119822   -0.066744
      8.535452  2.845151  5.690301    -0.064496   -0.119822   -0.066744
      2.845151  8.535452  5.690301    -0.064496   -0.119822   -0.066744
      8.535452  8.535452  5.690301    -0.064496   -0.119822   -0.066744
      2.845151  2.845151  2.845151    -0.023400   -0.071212    0.062332
      8.535452  2.845151  2.845151    -0.023400   -0.071212    0.062332
      2.845151  8.535452  2.845151    -0.023400   -0.071212    0.062332
      8.535452  8.535452  2.845151    -0.023400   -0.071212    0.062332
      2.845151  2.845151  8.535452    -0.023400   -0.071212    0.062332
      8.535452  2.845151  8.535452    -0.023400   -0.071212    0.062332
      2.845151  8.535452  8.535452    -0.023400   -0.071212    0.062332
      8.535452  8.535452  8.535452    -0.023400   -0.071212    0.062332
      2.845151  0.000000  0.000000     0.023400    0.111901    0.058842
      8.535452  0.000000  0.000000     0.023400    0.111901    0.058842
      2.845151  5.690301  0.000000     0.023400    0.111901    0.058842
      8.535452  5.690301  0.000000     0.023400    0.111901    0.058842
      2.845151  0.000000  5.690301     0.023400    0.111901    0.058842
      8.535452  0.000000  5.690301     0.023400    0.111901    0.058842
      2.845151  5.690301  5.690301     0.023400    0.111901    0.058842
      8.535452  5.690301  5.690301     0.023400    0.111901    0.058842
      0.000000  2.845151  0.000000     0.060233    0.071212   -0.058842
      5.690301  2.845151  0.000000     0.060233    0.071212   -0.058842
      0.000000  8.535452  0.000000     0.060233    0.071212   -0.058842
      5.690301  8.535452  0.000000     0.060233    0.071212   -0.058842
      0.000000  2.845151  5.690301     0.060233    0.071212   -0.058842
      5.690301  2.845151  5.690301     0.060233    0.071212   -0.058842
      0.000000  8.535452  5.690301     0.060233    0.071212   -0.058842
      5.690301  8.535452  5.690301     0.060233    0.071212   -0.058842
      0.000000  0.000000  2.845151    -0.060233   -0.111901   -0.062332
      5.690301  0.000000  2.845151    -0.060233   -0.111901   -0.062332
      0.000000  5.690301  2.845151    -0.060233   -0.111901   -0.062332
      5.690301  5.690301  2.845151    -0.060233   -0.111901   -0.062332
      0.000000  0.000000  8.535452    -0.060233   -0.111901   -0.062332
      5.690301  0.000000  8.535452    -0.060233   -0.111901   -0.062332
      0.000000  5.690301  8.535452    -0.060233   -0.111901   -0.062332
      5.690301  5.690301  8.535452    -0.060233   -0.111901   -0.062332

  58 f  =    4.856473 THz    30.514123 2PiTHz  161.994512 cm-1    20.084767 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.085424    0.095625    0.008143
      5.690301  0.000000  0.000000     0.085424    0.095625    0.008143
      0.000000  5.690301  0.000000     0.085424    0.095625    0.008143
      5.690301  5.690301  0.000000     0.085424    0.095625    0.008143
      0.000000  0.000000  5.690301     0.085424    0.095625    0.008143
      5.690301  0.000000  5.690301     0.085424    0.095625    0.008143
      0.000000  5.690301  5.690301     0.085424    0.095625    0.008143
      5.690301  5.690301  5.690301     0.085424    0.095625    0.008143
      0.000000  2.845151  2.845151    -0.085424    0.116345   -0.049279
      5.690301  2.845151  2.845151    -0.085424    0.116345   -0.049279
      0.000000  8.535452  2.845151    -0.085424    0.116345   -0.049279
      5.690301  8.535452  2.845151    -0.085424    0.116345   -0.049279
      0.000000  2.845151  8.535452    -0.085424    0.116345   -0.049279
      5.690301  2.845151  8.535452    -0.085424    0.116345   -0.049279
      0.000000  8.535452  8.535452    -0.085424    0.116345   -0.049279
      5.690301  8.535452  8.535452    -0.085424    0.116345   -0.049279
      2.845151  0.000000  2.845151    -0.030191   -0.095625    0.049279
      8.535452  0.000000  2.845151    -0.030191   -0.095625    0.049279
      2.845151  5.690301  2.845151    -0.030191   -0.095625    0.049279
      8.535452  5.690301  2.845151    -0.030191   -0.095625    0.049279
      2.845151  0.000000  8.535452    -0.030191   -0.095625    0.049279
      8.535452  0.000000  8.535452    -0.030191   -0.095625    0.049279
      2.845151  5.690301  8.535452    -0.030191   -0.095625    0.049279
      8.535452  5.690301  8.535452    -0.030191   -0.095625    0.049279
      2.845151  2.845151  0.000000     0.030191   -0.116345   -0.008143
      8.535452  2.845151  0.000000     0.030191   -0.116345   -0.008143
      2.845151  8.535452  0.000000     0.030191   -0.116345   -0.008143
      8.535452  8.535452  0.000000     0.030191   -0.116345   -0.008143
      2.845151  2.845151  5.690301     0.030191   -0.116345   -0.008143
      8.535452  2.845151  5.690301     0.030191   -0.116345   -0.008143
      2.845151  8.535452  5.690301     0.030191   -0.116345   -0.008143
      8.535452  8.535452  5.690301     0.030191   -0.116345   -0.008143
      2.845151  2.845151  2.845151     0.079778    0.089304    0.007604
      8.535452  2.845151  2.845151     0.079778    0.089304    0.007604
      2.845151  8.535452  2.845151     0.079778    0.089304    0.007604
      8.535452  8.535452  2.845151     0.079778    0.089304    0.007604
      2.845151  2.845151  8.535452     0.079778    0.089304    0.007604
      8.535452  2.845151  8.535452     0.079778    0.089304    0.007604
      2.845151  8.535452  8.535452     0.079778    0.089304    0.007604
      8.535452  8.535452  8.535452     0.079778    0.089304    0.007604
      2.845151  0.000000  0.000000    -0.079778    0.108654   -0.046021
      8.535452  0.000000  0.000000    -0.079778    0.108654   -0.046021
      2.845151  5.690301  0.000000    -0.079778    0.108654   -0.046021
      8.535452  5.690301  0.000000    -0.079778    0.108654   -0.046021
      2.845151  0.000000  5.690301    -0.079778    0.108654   -0.046021
      8.535452  0.000000  5.690301    -0.079778    0.108654   -0.046021
      2.845151  5.690301  5.690301    -0.079778    0.108654   -0.046021
      8.535452  5.690301  5.690301    -0.079778    0.108654   -0.046021
      0.000000  2.845151  0.000000    -0.028195   -0.089304    0.046021
      5.690301  2.845151  0.000000    -0.028195   -0.089304    0.046021
      0.000000  8.535452  0.000000    -0.028195   -0.089304    0.046021
      5.690301  8.535452  0.000000    -0.028195   -0.089304    0.046021
      0.000000  2.845151  5.690301    -0.028195   -0.089304    0.046021
      5.690301  2.845151  5.690301    -0.028195   -0.089304    0.046021
      0.000000  8.535452  5.690301    -0.028195   -0.089304    0.046021
      5.690301  8.535452  5.690301    -0.028195   -0.089304    0.046021
      0.000000  0.000000  2.845151     0.028195   -0.108654   -0.007604
      5.690301  0.000000  2.845151     0.028195   -0.108654   -0.007604
      0.000000  5.690301  2.845151     0.028195   -0.108654   -0.007604
      5.690301  5.690301  2.845151     0.028195   -0.108654   -0.007604
      0.000000  0.000000  8.535452     0.028195   -0.108654   -0.007604
      5.690301  0.000000  8.535452     0.028195   -0.108654   -0.007604
      0.000000  5.690301  8.535452     0.028195   -0.108654   -0.007604
      5.690301  5.690301  8.535452     0.028195   -0.108654   -0.007604

  59 f  =    4.856473 THz    30.514123 2PiTHz  161.994512 cm-1    20.084767 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.080928   -0.021146    0.080927
      5.690301  0.000000  0.000000     0.080928   -0.021146    0.080927
      0.000000  5.690301  0.000000     0.080928   -0.021146    0.080927
      5.690301  5.690301  0.000000     0.080928   -0.021146    0.080927
      0.000000  0.000000  5.690301     0.080928   -0.021146    0.080927
      5.690301  0.000000  5.690301     0.080928   -0.021146    0.080927
      0.000000  5.690301  5.690301     0.080928   -0.021146    0.080927
      5.690301  5.690301  5.690301     0.080928   -0.021146    0.080927
      0.000000  2.845151  2.845151    -0.080928   -0.054860   -0.079635
      5.690301  2.845151  2.845151    -0.080928   -0.054860   -0.079635
      0.000000  8.535452  2.845151    -0.080928   -0.054860   -0.079635
      5.690301  8.535452  2.845151    -0.080928   -0.054860   -0.079635
      0.000000  2.845151  8.535452    -0.080928   -0.054860   -0.079635
      5.690301  2.845151  8.535452    -0.080928   -0.054860   -0.079635
      0.000000  8.535452  8.535452    -0.080928   -0.054860   -0.079635
      5.690301  8.535452  8.535452    -0.080928   -0.054860   -0.079635
      2.845151  0.000000  2.845151     0.102405    0.021146    0.079635
      8.535452  0.000000  2.845151     0.102405    0.021146    0.079635
      2.845151  5.690301  2.845151     0.102405    0.021146    0.079635
      8.535452  5.690301  2.845151     0.102405    0.021146    0.079635
      2.845151  0.000000  8.535452     0.102405    0.021146    0.079635
      8.535452  0.000000  8.535452     0.102405    0.021146    0.079635
      2.845151  5.690301  8.535452     0.102405    0.021146    0.079635
      8.535452  5.690301  8.535452     0.102405    0.021146    0.079635
      2.845151  2.845151  0.000000    -0.102405    0.054860   -0.080927
      8.535452  2.845151  0.000000    -0.102405    0.054860   -0.080927
      2.845151  8.535452  0.000000    -0.102405    0.054860   -0.080927
      8.535452  8.535452  0.000000    -0.102405    0.054860   -0.080927
      2.845151  2.845151  5.690301    -0.102405    0.054860   -0.080927
      8.535452  2.845151  5.690301    -0.102405    0.054860   -0.080927
      2.845151  8.535452  5.690301    -0.102405    0.054860   -0.080927
      8.535452  8.535452  5.690301    -0.102405    0.054860   -0.080927
      2.845151  2.845151  2.845151     0.075578   -0.019748    0.075578
      8.535452  2.845151  2.845151     0.075578   -0.019748    0.075578
      2.845151  8.535452  2.845151     0.075578   -0.019748    0.075578
      8.535452  8.535452  2.845151     0.075578   -0.019748    0.075578
      2.845151  2.845151  8.535452     0.075578   -0.019748    0.075578
      8.535452  2.845151  8.535452     0.075578   -0.019748    0.075578
      2.845151  8.535452  8.535452     0.075578   -0.019748    0.075578
      8.535452  8.535452  8.535452     0.075578   -0.019748    0.075578
      2.845151  0.000000  0.000000    -0.075578   -0.051233   -0.074371
      8.535452  0.000000  0.000000    -0.075578   -0.051233   -0.074371
      2.845151  5.690301  0.000000    -0.075578   -0.051233   -0.074371
      8.535452  5.690301  0.000000    -0.075578   -0.051233   -0.074371
      2.845151  0.000000  5.690301    -0.075578   -0.051233   -0.074371
      8.535452  0.000000  5.690301    -0.075578   -0.051233   -0.074371
      2.845151  5.690301  5.690301    -0.075578   -0.051233   -0.074371
      8.535452  5.690301  5.690301    -0.075578   -0.051233   -0.074371
      0.000000  2.845151  0.000000     0.095636    0.019748    0.074371
      5.690301  2.845151  0.000000     0.095636    0.019748    0.074371
      0.000000  8.535452  0.000000     0.095636    0.019748    0.074371
      5.690301  8.535452  0.000000     0.095636    0.019748    0.074371
      0.000000  2.845151  5.690301     0.095636    0.019748    0.074371
      5.690301  2.845151  5.690301     0.095636    0.019748    0.074371
      0.000000  8.535452  5.690301     0.095636    0.019748    0.074371
      5.690301  8.535452  5.690301     0.095636    0.019748    0.074371
      0.000000  0.000000  2.845151    -0.095636    0.051233   -0.075578
      5.690301  0.000000  2.845151    -0.095636    0.051233   -0.075578
      0.000000  5.690301  2.845151    -0.095636    0.051233   -0.075578
      5.690301  5.690301  2.845151    -0.095636    0.051233   -0.075578
      0.000000  0.000000  8.535452    -0.095636    0.051233   -0.075578
      5.690301  0.000000  8.535452    -0.095636    0.051233   -0.075578
      0.000000  5.690301  8.535452    -0.095636    0.051233   -0.075578
      5.690301  5.690301  8.535452    -0.095636    0.051233   -0.075578

  60 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.029177   -0.107506   -0.052505
      5.690301  0.000000  0.000000    -0.029177   -0.025729    0.072684
      0.000000  5.690301  0.000000    -0.120256   -0.107506   -0.072684
      5.690301  5.690301  0.000000    -0.120256   -0.025729    0.052505
      0.000000  0.000000  5.690301     0.120256    0.025729   -0.052505
      5.690301  0.000000  5.690301     0.120256    0.107506    0.072684
      0.000000  5.690301  5.690301     0.029177    0.025729   -0.072684
      5.690301  5.690301  5.690301     0.029177    0.107506    0.052505
      0.000000  2.845151  2.845151    -0.082967   -0.065452    0.008422
      5.690301  2.845151  2.845151    -0.082967    0.016325    0.133612
      0.000000  8.535452  2.845151    -0.111184   -0.065452   -0.133612
      5.690301  8.535452  2.845151    -0.111184    0.016325   -0.008422
      0.000000  2.845151  8.535452     0.111184   -0.016325    0.008422
      5.690301  2.845151  8.535452     0.111184    0.065452    0.133612
      0.000000  8.535452  8.535452     0.082967   -0.016325   -0.133612
      5.690301  8.535452  8.535452     0.082967    0.065452   -0.008422
      2.845151  0.000000  2.845151    -0.051536   -0.015677   -0.040255
      8.535452  0.000000  2.845151    -0.051536   -0.033450    0.060434
      2.845151  5.690301  2.845151    -0.142615   -0.015677   -0.060434
      8.535452  5.690301  2.845151    -0.142615   -0.033450    0.040255
      2.845151  0.000000  8.535452     0.142615    0.033450   -0.040255
      8.535452  0.000000  8.535452     0.142615    0.015677    0.060434
      2.845151  5.690301  8.535452     0.051536    0.033450   -0.060434
      8.535452  5.690301  8.535452     0.051536    0.015677    0.040255
      2.845151  2.845151  0.000000    -0.060608   -0.057731    0.020673
      8.535452  2.845151  0.000000    -0.060608   -0.075504    0.121361
      2.845151  8.535452  0.000000    -0.088825   -0.057731   -0.121361
      8.535452  8.535452  0.000000    -0.088825   -0.075504   -0.020673
      2.845151  2.845151  5.690301     0.088825    0.075504    0.020673
      8.535452  2.845151  5.690301     0.088825    0.057731    0.121361
      2.845151  8.535452  5.690301     0.060608    0.075504   -0.121361
      8.535452  8.535452  5.690301     0.060608    0.057731   -0.020673
      2.845151  2.845151  2.845151     0.071958    0.013597   -0.017930
      8.535452  2.845151  2.845151     0.071958    0.029011   -0.105257
      2.845151  8.535452  2.845151     0.096430    0.013597    0.105257
      8.535452  8.535452  2.845151     0.096430    0.029011    0.017930
      2.845151  2.845151  8.535452    -0.096430   -0.029011   -0.017930
      8.535452  2.845151  8.535452    -0.096430   -0.013597   -0.105257
      2.845151  8.535452  8.535452    -0.071958   -0.029011    0.105257
      8.535452  8.535452  8.535452    -0.071958   -0.013597    0.017930
      2.845151  0.000000  0.000000     0.025305    0.050071    0.034913
      8.535452  0.000000  0.000000     0.025305    0.065485   -0.052415
      2.845151  5.690301  0.000000     0.104299    0.050071    0.052415
      8.535452  5.690301  0.000000     0.104299    0.065485   -0.034913
      2.845151  0.000000  5.690301    -0.104299   -0.065485    0.034913
      8.535452  0.000000  5.690301    -0.104299   -0.050071   -0.052415
      2.845151  5.690301  5.690301    -0.025305   -0.065485    0.052415
      8.535452  5.690301  5.690301    -0.025305   -0.050071   -0.034913
      0.000000  2.845151  0.000000     0.052566    0.093241   -0.007305
      5.690301  2.845151  0.000000     0.052566    0.022315   -0.115882
      0.000000  8.535452  0.000000     0.077038    0.093241    0.115882
      5.690301  8.535452  0.000000     0.077038    0.022315    0.007305
      0.000000  2.845151  5.690301    -0.077038   -0.022315   -0.007305
      5.690301  2.845151  5.690301    -0.077038   -0.093241   -0.115882
      0.000000  8.535452  5.690301    -0.052566   -0.022315    0.115882
      5.690301  8.535452  5.690301    -0.052566   -0.093241    0.007305
      0.000000  0.000000  2.845151     0.044697    0.056767    0.045538
      5.690301  0.000000  2.845151     0.044697   -0.014159   -0.063039
      0.000000  5.690301  2.845151     0.123691    0.056767    0.063039
      5.690301  5.690301  2.845151     0.123691   -0.014159   -0.045538
      0.000000  0.000000  8.535452    -0.123691    0.014159    0.045538
      5.690301  0.000000  8.535452    -0.123691   -0.056767   -0.063039
      0.000000  5.690301  8.535452    -0.044697    0.014159    0.063039
      5.690301  5.690301  8.535452    -0.044697   -0.056767   -0.045538

  61 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.084258   -0.040613    0.014922
      5.690301  0.000000  0.000000     0.084258   -0.004650   -0.060481
      0.000000  5.690301  0.000000     0.037152   -0.040613    0.060481
      5.690301  5.690301  0.000000     0.037152   -0.004650   -0.014922
      0.000000  0.000000  5.690301    -0.037152    0.004650    0.014922
      5.690301  0.000000  5.690301    -0.037152    0.040613   -0.060481
      0.000000  5.690301  5.690301    -0.084258    0.004650    0.060481
      5.690301  5.690301  5.690301    -0.084258    0.040613   -0.014922
      0.000000  2.845151  2.845151    -0.134655   -0.071002   -0.029002
      5.690301  2.845151  2.845151    -0.134655   -0.035039   -0.104406
      0.000000  8.535452  2.845151    -0.025533   -0.071002    0.104406
      5.690301  8.535452  2.845151    -0.025533   -0.035039    0.029002
      0.000000  2.845151  8.535452     0.025533    0.035039   -0.029002
      5.690301  2.845151  8.535452     0.025533    0.071002   -0.104406
      0.000000  8.535452  8.535452     0.134655    0.035039    0.104406
      5.690301  8.535452  8.535452     0.134655    0.071002    0.029002
      2.845151  0.000000  2.845151    -0.056541   -0.159989   -0.046413
      8.535452  0.000000  2.845151    -0.056541    0.053948    0.000854
      2.845151  5.690301  2.845151    -0.103647   -0.159989   -0.000854
      8.535452  5.690301  2.845151    -0.103647    0.053948    0.046413
      2.845151  0.000000  8.535452     0.103647   -0.053948   -0.046413
      8.535452  0.000000  8.535452     0.103647    0.159989    0.000854
      2.845151  5.690301  8.535452     0.056541   -0.053948   -0.000854
      8.535452  5.690301  8.535452     0.056541    0.159989    0.046413
      2.845151  2.845151  0.000000     0.006144   -0.129600   -0.090338
      8.535452  2.845151  0.000000     0.006144    0.084337   -0.043070
      2.845151  8.535452  0.000000     0.115266   -0.129600    0.043070
      8.535452  8.535452  0.000000     0.115266    0.084337    0.090338
      2.845151  2.845151  5.690301    -0.115266   -0.084337   -0.090338
      8.535452  2.845151  5.690301    -0.115266    0.129600   -0.043070
      2.845151  8.535452  5.690301    -0.006144   -0.084337    0.043070
      8.535452  8.535452  5.690301    -0.006144    0.129600    0.090338
      2.845151  2.845151  2.845151     0.116787    0.138759    0.078350
      8.535452  2.845151  2.845151     0.116787   -0.046789    0.037355
      2.845151  8.535452  2.845151     0.022145    0.138759   -0.037355
      8.535452  8.535452  2.845151     0.022145   -0.046789   -0.078350
      2.845151  2.845151  8.535452    -0.022145    0.046789    0.078350
      8.535452  2.845151  8.535452    -0.022145   -0.138759    0.037355
      2.845151  8.535452  8.535452    -0.116787    0.046789   -0.037355
      8.535452  8.535452  8.535452    -0.116787   -0.138759   -0.078350
      2.845151  0.000000  0.000000    -0.073078    0.112403    0.040254
      8.535452  0.000000  0.000000    -0.073078   -0.073146   -0.000741
      2.845151  5.690301  0.000000    -0.032222    0.112403    0.000741
      8.535452  5.690301  0.000000    -0.032222   -0.073146   -0.040254
      2.845151  0.000000  5.690301     0.032222    0.073146    0.040254
      8.535452  0.000000  5.690301     0.032222   -0.112403   -0.000741
      2.845151  5.690301  5.690301     0.073078    0.073146    0.000741
      8.535452  5.690301  5.690301     0.073078   -0.112403   -0.040254
      0.000000  2.845151  0.000000    -0.005329    0.035224    0.025154
      5.690301  2.845151  0.000000    -0.005329    0.004033    0.090552
      0.000000  8.535452  0.000000    -0.099971    0.035224   -0.090552
      5.690301  8.535452  0.000000    -0.099971    0.004033   -0.025154
      0.000000  2.845151  5.690301     0.099971   -0.004033    0.025154
      5.690301  2.845151  5.690301     0.099971   -0.035224    0.090552
      0.000000  8.535452  5.690301     0.005329   -0.004033   -0.090552
      5.690301  8.535452  5.690301     0.005329   -0.035224   -0.025154
      0.000000  0.000000  2.845151     0.049038    0.061581   -0.012942
      5.690301  0.000000  2.845151     0.049038    0.030389    0.052456
      0.000000  5.690301  2.845151     0.089894    0.061581   -0.052456
      5.690301  5.690301  2.845151     0.089894    0.030389    0.012942
      0.000000  0.000000  8.535452    -0.089894   -0.030389   -0.012942
      5.690301  0.000000  8.535452    -0.089894   -0.061581    0.052456
      0.000000  5.690301  8.535452    -0.049038   -0.030389   -0.052456
      5.690301  5.690301  8.535452    -0.049038   -0.061581    0.012942

  62 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.053259   -0.026744   -0.008515
      5.690301  0.000000  0.000000    -0.053259   -0.022817    0.084165
      0.000000  5.690301  0.000000    -0.127964   -0.026744   -0.084165
      5.690301  5.690301  0.000000    -0.127964   -0.022817    0.008515
      0.000000  0.000000  5.690301     0.127964    0.022817   -0.008515
      5.690301  0.000000  5.690301     0.127964    0.026744    0.084165
      0.000000  5.690301  5.690301     0.053259    0.022817   -0.084165
      5.690301  5.690301  5.690301     0.053259    0.026744    0.008515
      0.000000  2.845151  2.845151     0.001159    0.009177   -0.180185
      5.690301  2.845151  2.845151     0.001159    0.013104   -0.087505
      0.000000  8.535452  2.845151     0.082982    0.009177    0.087505
      5.690301  8.535452  2.845151     0.082982    0.013104    0.180185
      0.000000  2.845151  8.535452    -0.082982   -0.013104   -0.180185
      5.690301  2.845151  8.535452    -0.082982   -0.009177   -0.087505
      0.000000  8.535452  8.535452    -0.001159   -0.013104    0.087505
      5.690301  8.535452  8.535452    -0.001159   -0.009177    0.180185
      2.845151  0.000000  2.845151     0.079423    0.020273    0.020457
      8.535452  0.000000  2.845151     0.079423    0.002007    0.055193
      2.845151  5.690301  2.845151     0.004718    0.020273   -0.055193
      8.535452  5.690301  2.845151     0.004718    0.002007   -0.020457
      2.845151  0.000000  8.535452    -0.004718   -0.002007    0.020457
      8.535452  0.000000  8.535452    -0.004718   -0.020273    0.055193
      2.845151  5.690301  8.535452    -0.079423   -0.002007   -0.055193
      8.535452  5.690301  8.535452    -0.079423   -0.020273   -0.020457
      2.845151  2.845151  0.000000    -0.131524   -0.015647   -0.151213
      8.535452  2.845151  0.000000    -0.131524   -0.033914   -0.116477
      2.845151  8.535452  0.000000    -0.049700   -0.015647    0.116477
      8.535452  8.535452  0.000000    -0.049700   -0.033914    0.151213
      2.845151  2.845151  5.690301     0.049700    0.033914   -0.151213
      8.535452  2.845151  5.690301     0.049700    0.015647   -0.116477
      2.845151  8.535452  5.690301     0.131524    0.033914    0.116477
      8.535452  8.535452  5.690301     0.131524    0.015647    0.151213
      2.845151  2.845151  2.845151    -0.001005   -0.017583    0.131148
      8.535452  2.845151  2.845151    -0.001005   -0.001741    0.101021
      2.845151  8.535452  2.845151    -0.071971   -0.017583   -0.101021
      8.535452  8.535452  2.845151    -0.071971   -0.001741   -0.131148
      2.845151  2.845151  8.535452     0.071971    0.001741    0.131148
      8.535452  2.845151  8.535452     0.071971    0.017583    0.101021
      2.845151  8.535452  8.535452     0.001005    0.001741   -0.101021
      8.535452  8.535452  8.535452     0.001005    0.017583   -0.131148
      2.845151  0.000000  0.000000     0.046192    0.013571   -0.017742
      8.535452  0.000000  0.000000     0.046192    0.029414   -0.047869
      2.845151  5.690301  0.000000     0.110984    0.013571    0.047869
      8.535452  5.690301  0.000000     0.110984    0.029414    0.017742
      2.845151  0.000000  5.690301    -0.110984   -0.029414   -0.017742
      8.535452  0.000000  5.690301    -0.110984   -0.013571   -0.047869
      2.845151  5.690301  5.690301    -0.046192   -0.029414    0.047869
      8.535452  5.690301  5.690301    -0.046192   -0.013571    0.017742
      0.000000  2.845151  0.000000     0.114071    0.023195    0.156275
      5.690301  2.845151  0.000000     0.114071    0.019789    0.075894
      0.000000  8.535452  0.000000     0.043105    0.023195   -0.075894
      5.690301  8.535452  0.000000     0.043105    0.019789   -0.156275
      0.000000  2.845151  5.690301    -0.043105   -0.019789    0.156275
      5.690301  2.845151  5.690301    -0.043105   -0.023195    0.075894
      0.000000  8.535452  5.690301    -0.114071   -0.019789   -0.075894
      5.690301  8.535452  5.690301    -0.114071   -0.023195   -0.156275
      0.000000  0.000000  2.845151    -0.068884   -0.007959    0.007385
      5.690301  0.000000  2.845151    -0.068884   -0.011365   -0.072997
      0.000000  5.690301  2.845151    -0.004092   -0.007959    0.072997
      5.690301  5.690301  2.845151    -0.004092   -0.011365   -0.007385
      0.000000  0.000000  8.535452     0.004092    0.011365    0.007385
      5.690301  0.000000  8.535452     0.004092    0.007959   -0.072997
      0.000000  5.690301  8.535452     0.068884    0.011365    0.072997
      5.690301  5.690301  8.535452     0.068884    0.007959   -0.007385

  63 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.095829   -0.151159    0.009691
      5.690301  0.000000  0.000000     0.095829    0.138876   -0.072068
      0.000000  5.690301  0.000000    -0.051060   -0.151159    0.072068
      5.690301  5.690301  0.000000    -0.051060    0.138876   -0.009691
      0.000000  0.000000  5.690301     0.051060   -0.138876    0.009691
      5.690301  0.000000  5.690301     0.051060    0.151159   -0.072068
      0.000000  5.690301  5.690301    -0.095829   -0.138876    0.072068
      5.690301  5.690301  5.690301    -0.095829    0.151159   -0.009691
      0.000000  2.845151  2.845151     0.038053   -0.144083    0.057259
      5.690301  2.845151  2.845151     0.038053    0.145952   -0.024500
      0.000000  8.535452  2.845151     0.090952   -0.144083    0.024500
      5.690301  8.535452  2.845151     0.090952    0.145952   -0.057259
      0.000000  2.845151  8.535452    -0.090952   -0.145952    0.057259
      5.690301  2.845151  8.535452    -0.090952    0.144083   -0.024500
      0.000000  8.535452  8.535452    -0.038053   -0.145952    0.024500
      5.690301  8.535452  8.535452    -0.038053    0.144083   -0.057259
      2.845151  0.000000  2.845151     0.137947    0.031431   -0.032899
      8.535452  0.000000  2.845151     0.137947   -0.029561   -0.029478
      2.845151  5.690301  2.845151    -0.008942    0.031431    0.029478
      8.535452  5.690301  2.845151    -0.008942   -0.029561    0.032899
      2.845151  0.000000  8.535452     0.008942    0.029561   -0.032899
      8.535452  0.000000  8.535452     0.008942   -0.031431   -0.029478
      2.845151  5.690301  8.535452    -0.137947    0.029561    0.029478
      8.535452  5.690301  8.535452    -0.137947   -0.031431    0.032899
      2.845151  2.845151  0.000000    -0.004065    0.024354    0.014669
      8.535452  2.845151  0.000000    -0.004065   -0.036638    0.018090
      2.845151  8.535452  0.000000     0.048834    0.024354   -0.018090
      8.535452  8.535452  0.000000     0.048834   -0.036638   -0.014669
      2.845151  2.845151  5.690301    -0.048834    0.036638    0.014669
      8.535452  2.845151  5.690301    -0.048834   -0.024354    0.018090
      2.845151  8.535452  5.690301     0.004065    0.036638   -0.018090
      8.535452  8.535452  5.690301     0.004065   -0.024354   -0.014669
      2.845151  2.845151  2.845151    -0.033004   -0.027260   -0.012723
      8.535452  2.845151  2.845151    -0.033004    0.025639   -0.015690
      2.845151  8.535452  2.845151    -0.078883   -0.027260    0.015690
      8.535452  8.535452  2.845151    -0.078883    0.025639    0.012723
      2.845151  2.845151  8.535452     0.078883   -0.025639   -0.012723
      8.535452  2.845151  8.535452     0.078883    0.027260   -0.015690
      2.845151  8.535452  8.535452     0.033004   -0.025639    0.015690
      8.535452  8.535452  8.535452     0.033004    0.027260    0.012723
      2.845151  0.000000  0.000000    -0.083113   -0.021123    0.028533
      8.535452  0.000000  0.000000    -0.083113    0.031776    0.025566
      2.845151  5.690301  0.000000     0.044285   -0.021123   -0.025566
      8.535452  5.690301  0.000000     0.044285    0.031776   -0.028533
      2.845151  0.000000  5.690301    -0.044285   -0.031776    0.028533
      8.535452  0.000000  5.690301    -0.044285    0.021123    0.025566
      2.845151  5.690301  5.690301     0.083113   -0.031776   -0.025566
      8.535452  5.690301  5.690301     0.083113    0.021123   -0.028533
      0.000000  2.845151  0.000000     0.003526    0.131101   -0.049661
      5.690301  2.845151  0.000000     0.003526   -0.120448    0.021249
      0.000000  8.535452  0.000000    -0.042354    0.131101   -0.021249
      5.690301  8.535452  0.000000    -0.042354   -0.120448    0.049661
      0.000000  2.845151  5.690301     0.042354    0.120448   -0.049661
      5.690301  2.845151  5.690301     0.042354   -0.131101    0.021249
      0.000000  8.535452  5.690301    -0.003526    0.120448   -0.021249
      5.690301  8.535452  5.690301    -0.003526   -0.131101    0.049661
      0.000000  0.000000  2.845151    -0.119642    0.124964   -0.008405
      5.690301  0.000000  2.845151    -0.119642   -0.126585    0.062505
      0.000000  5.690301  2.845151     0.007755    0.124964   -0.062505
      5.690301  5.690301  2.845151     0.007755   -0.126585    0.008405
      0.000000  0.000000  8.535452    -0.007755    0.126585   -0.008405
      5.690301  0.000000  8.535452    -0.007755   -0.124964    0.062505
      0.000000  5.690301  8.535452     0.119642    0.126585   -0.062505
      5.690301  5.690301  8.535452     0.119642   -0.124964    0.008405

  64 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.058912   -0.002933    0.010806
      5.690301  0.000000  0.000000    -0.058912   -0.058756   -0.193354
      0.000000  5.690301  0.000000    -0.021774   -0.002933    0.193354
      5.690301  5.690301  0.000000    -0.021774   -0.058756   -0.010806
      0.000000  0.000000  5.690301     0.021774    0.058756    0.010806
      5.690301  0.000000  5.690301     0.021774    0.002933   -0.193354
      0.000000  5.690301  5.690301     0.058912    0.058756    0.193354
      5.690301  5.690301  5.690301     0.058912    0.002933   -0.010806
      0.000000  2.845151  2.845151    -0.015913    0.017778    0.061031
      5.690301  2.845151  2.845151    -0.015913   -0.038044   -0.143129
      0.000000  8.535452  2.845151    -0.058398    0.017778    0.143129
      5.690301  8.535452  2.845151    -0.058398   -0.038044   -0.061031
      0.000000  2.845151  8.535452     0.058398    0.038044    0.061031
      5.690301  2.845151  8.535452     0.058398   -0.017778   -0.143129
      0.000000  8.535452  8.535452     0.015913    0.038044    0.143129
      5.690301  8.535452  8.535452     0.015913   -0.017778   -0.061031
      2.845151  0.000000  2.845151    -0.055724    0.077438   -0.135170
      8.535452  0.000000  2.845151    -0.055724   -0.097704   -0.047377
      2.845151  5.690301  2.845151    -0.018587    0.077438    0.047377
      8.535452  5.690301  2.845151    -0.018587   -0.097704    0.135170
      2.845151  0.000000  8.535452     0.018587    0.097704   -0.135170
      8.535452  0.000000  8.535452     0.018587   -0.077438   -0.047377
      2.845151  5.690301  8.535452     0.055724    0.097704    0.047377
      8.535452  5.690301  8.535452     0.055724   -0.077438    0.135170
      2.845151  2.845151  0.000000    -0.019100    0.056726   -0.084946
      8.535452  2.845151  0.000000    -0.019100   -0.118415    0.002847
      2.845151  8.535452  0.000000    -0.061586    0.056726   -0.002847
      8.535452  8.535452  0.000000    -0.061586   -0.118415    0.084946
      2.845151  2.845151  5.690301     0.061586    0.118415   -0.084946
      8.535452  2.845151  5.690301     0.061586   -0.056726    0.002847
      2.845151  8.535452  5.690301     0.019100    0.118415   -0.002847
      8.535452  8.535452  5.690301     0.019100   -0.056726    0.084946
      2.845151  2.845151  2.845151     0.013801   -0.067162    0.073674
      8.535452  2.845151  2.845151     0.013801    0.084739   -0.002470
      2.845151  8.535452  2.845151     0.050649   -0.067162    0.002470
      8.535452  8.535452  2.845151     0.050649    0.084739   -0.073674
      2.845151  2.845151  8.535452    -0.050649   -0.084739    0.073674
      8.535452  2.845151  8.535452    -0.050649    0.067162   -0.002470
      2.845151  8.535452  8.535452    -0.013801   -0.084739    0.002470
      8.535452  8.535452  8.535452    -0.013801    0.067162   -0.073674
      2.845151  0.000000  0.000000     0.051094   -0.049199    0.117234
      8.535452  0.000000  0.000000     0.051094    0.102702    0.041091
      2.845151  5.690301  0.000000     0.018885   -0.049199   -0.041091
      8.535452  5.690301  0.000000     0.018885    0.102702   -0.117234
      2.845151  0.000000  5.690301    -0.018885   -0.102702    0.117234
      8.535452  0.000000  5.690301    -0.018885    0.049199    0.041091
      2.845151  5.690301  5.690301    -0.051094   -0.102702   -0.041091
      8.535452  5.690301  5.690301    -0.051094    0.049199   -0.117234
      0.000000  2.845151  0.000000     0.016566    0.002544   -0.052933
      5.690301  2.845151  0.000000     0.016566    0.050959    0.124137
      0.000000  8.535452  0.000000     0.053413    0.002544   -0.124137
      5.690301  8.535452  0.000000     0.053413    0.050959    0.052933
      0.000000  2.845151  5.690301    -0.053413   -0.050959   -0.052933
      5.690301  2.845151  5.690301    -0.053413   -0.002544    0.124137
      0.000000  8.535452  5.690301    -0.016566   -0.050959   -0.124137
      5.690301  8.535452  5.690301    -0.016566   -0.002544    0.052933
      0.000000  0.000000  2.845151     0.048330   -0.015419   -0.009372
      5.690301  0.000000  2.845151     0.048330    0.032996    0.167697
      0.000000  5.690301  2.845151     0.016120   -0.015419   -0.167697
      5.690301  5.690301  2.845151     0.016120    0.032996    0.009372
      0.000000  0.000000  8.535452    -0.016120   -0.032996   -0.009372
      5.690301  0.000000  8.535452    -0.016120    0.015419    0.167697
      0.000000  5.690301  8.535452    -0.048330   -0.032996   -0.167697
      5.690301  5.690301  8.535452    -0.048330    0.015419    0.009372

  65 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.152135    0.103637    0.117542
      5.690301  0.000000  0.000000     0.152135   -0.022360    0.019495
      0.000000  5.690301  0.000000    -0.116860    0.103637   -0.019495
      5.690301  5.690301  0.000000    -0.116860   -0.022360   -0.117542
      0.000000  0.000000  5.690301     0.116860    0.022360    0.117542
      5.690301  0.000000  5.690301     0.116860   -0.103637    0.019495
      0.000000  5.690301  5.690301    -0.152135    0.022360   -0.019495
      5.690301  5.690301  5.690301    -0.152135   -0.103637   -0.117542
      0.000000  2.845151  2.845151    -0.020387    0.035794    0.053645
      5.690301  2.845151  2.845151    -0.020387   -0.090202   -0.044402
      0.000000  8.535452  2.845151    -0.037917    0.035794    0.044402
      5.690301  8.535452  2.845151    -0.037917   -0.090202   -0.053645
      0.000000  2.845151  8.535452     0.037917    0.090202    0.053645
      5.690301  2.845151  8.535452     0.037917   -0.035794   -0.044402
      0.000000  8.535452  8.535452     0.020387    0.090202    0.044402
      5.690301  8.535452  8.535452     0.020387   -0.035794   -0.053645
      2.845151  0.000000  2.845151     0.105345    0.017329    0.098164
      8.535452  0.000000  2.845151     0.105345   -0.071737    0.038872
      2.845151  5.690301  2.845151    -0.163649    0.017329   -0.038872
      8.535452  5.690301  2.845151    -0.163649   -0.071737   -0.098164
      2.845151  0.000000  8.535452     0.163649    0.071737    0.098164
      8.535452  0.000000  8.535452     0.163649   -0.017329    0.038872
      2.845151  5.690301  8.535452    -0.105345    0.071737   -0.038872
      8.535452  5.690301  8.535452    -0.105345   -0.017329   -0.098164
      2.845151  2.845151  0.000000     0.026402    0.085171    0.034268
      8.535452  2.845151  0.000000     0.026402   -0.003895   -0.025024
      2.845151  8.535452  0.000000     0.008873    0.085171    0.025024
      8.535452  8.535452  0.000000     0.008873   -0.003895   -0.034268
      2.845151  2.845151  5.690301    -0.008873    0.003895    0.034268
      8.535452  2.845151  5.690301    -0.008873   -0.085171   -0.025024
      2.845151  8.535452  5.690301    -0.026402    0.003895    0.025024
      8.535452  8.535452  5.690301    -0.026402   -0.085171   -0.034268
      2.845151  2.845151  2.845151     0.017682   -0.015030   -0.029721
      8.535452  2.845151  2.845151     0.017682    0.062218    0.021704
      2.845151  8.535452  2.845151     0.032885   -0.015030   -0.021704
      8.535452  8.535452  2.845151     0.032885    0.062218    0.029721
      2.845151  2.845151  8.535452    -0.032885   -0.062218   -0.029721
      8.535452  2.845151  8.535452    -0.032885    0.015030    0.021704
      2.845151  8.535452  8.535452    -0.017682   -0.062218   -0.021704
      8.535452  8.535452  8.535452    -0.017682    0.015030    0.029721
      2.845151  0.000000  0.000000    -0.131948   -0.073870   -0.085138
      8.535452  0.000000  0.000000    -0.131948    0.003378   -0.033714
      2.845151  5.690301  0.000000     0.101353   -0.073870    0.033714
      8.535452  5.690301  0.000000     0.101353    0.003378    0.085138
      2.845151  0.000000  5.690301    -0.101353   -0.003378   -0.085138
      8.535452  0.000000  5.690301    -0.101353    0.073870   -0.033714
      2.845151  5.690301  5.690301     0.131948   -0.003378    0.033714
      8.535452  5.690301  5.690301     0.131948    0.073870    0.085138
      0.000000  2.845151  0.000000    -0.022899   -0.089885   -0.046527
      5.690301  2.845151  0.000000    -0.022899    0.019393    0.038510
      0.000000  8.535452  0.000000    -0.007696   -0.089885   -0.038510
      5.690301  8.535452  0.000000    -0.007696    0.019393    0.046527
      0.000000  2.845151  5.690301     0.007696   -0.019393   -0.046527
      5.690301  2.845151  5.690301     0.007696    0.089885    0.038510
      0.000000  8.535452  5.690301     0.022899   -0.019393   -0.038510
      5.690301  8.535452  5.690301     0.022899    0.089885    0.046527
      0.000000  0.000000  2.845151    -0.091367   -0.031045   -0.101945
      5.690301  0.000000  2.845151    -0.091367    0.078233   -0.016908
      0.000000  5.690301  2.845151     0.141934   -0.031045    0.016908
      5.690301  5.690301  2.845151     0.141934    0.078233    0.101945
      0.000000  0.000000  8.535452    -0.141934   -0.078233   -0.101945
      5.690301  0.000000  8.535452    -0.141934    0.031045   -0.016908
      0.000000  5.690301  8.535452     0.091367   -0.078233    0.016908
      5.690301  5.690301  8.535452     0.091367    0.031045    0.101945

  66 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.040074    0.066432   -0.178243
      5.690301  0.000000  0.000000     0.040074    0.082064    0.011921
      0.000000  5.690301  0.000000     0.003788    0.066432   -0.011921
      5.690301  5.690301  0.000000     0.003788    0.082064    0.178243
      0.000000  0.000000  5.690301    -0.003788   -0.082064   -0.178243
      5.690301  0.000000  5.690301    -0.003788   -0.066432    0.011921
      0.000000  5.690301  5.690301    -0.040074   -0.082064   -0.011921
      5.690301  5.690301  5.690301    -0.040074   -0.066432    0.178243
      0.000000  2.845151  2.845151     0.035329   -0.100714   -0.131772
      5.690301  2.845151  2.845151     0.035329   -0.085082    0.058391
      0.000000  8.535452  2.845151    -0.048851   -0.100714   -0.058391
      5.690301  8.535452  2.845151    -0.048851   -0.085082    0.131772
      0.000000  2.845151  8.535452     0.048851    0.085082   -0.131772
      5.690301  2.845151  8.535452     0.048851    0.100714    0.058391
      0.000000  8.535452  8.535452    -0.035329    0.085082   -0.058391
      5.690301  8.535452  8.535452    -0.035329    0.100714    0.131772
      2.845151  0.000000  2.845151     0.011382   -0.058124   -0.065107
      8.535452  0.000000  2.845151     0.011382   -0.127672   -0.101216
      2.845151  5.690301  2.845151    -0.024903   -0.058124    0.101216
      8.535452  5.690301  2.845151    -0.024903   -0.127672    0.065107
      2.845151  0.000000  8.535452     0.024903    0.127672   -0.065107
      8.535452  0.000000  8.535452     0.024903    0.058124   -0.101216
      2.845151  5.690301  8.535452    -0.011382    0.127672    0.101216
      8.535452  5.690301  8.535452    -0.011382    0.058124    0.065107
      2.845151  2.845151  0.000000     0.064021    0.109022   -0.018636
      8.535452  2.845151  0.000000     0.064021    0.039474   -0.054745
      2.845151  8.535452  0.000000    -0.020159    0.109022    0.054745
      8.535452  8.535452  0.000000    -0.020159    0.039474    0.018636
      2.845151  2.845151  5.690301     0.020159   -0.039474   -0.018636
      8.535452  2.845151  5.690301     0.020159   -0.109022   -0.054745
      2.845151  8.535452  5.690301    -0.064021   -0.039474    0.054745
      8.535452  8.535452  5.690301    -0.064021   -0.109022    0.018636
      2.845151  2.845151  2.845151    -0.030641    0.050411    0.016163
      8.535452  2.845151  2.845151    -0.030641    0.110731    0.047480
      2.845151  8.535452  2.845151     0.042368    0.050411   -0.047480
      8.535452  8.535452  2.845151     0.042368    0.110731   -0.016163
      2.845151  2.845151  8.535452    -0.042368   -0.110731    0.016163
      8.535452  2.845151  8.535452    -0.042368   -0.050411    0.047480
      2.845151  8.535452  8.535452     0.030641   -0.110731   -0.047480
      8.535452  8.535452  8.535452     0.030641   -0.050411   -0.016163
      2.845151  0.000000  0.000000    -0.034756   -0.094555    0.056468
      8.535452  0.000000  0.000000    -0.034756   -0.034236    0.087785
      2.845151  5.690301  0.000000    -0.003286   -0.094555   -0.087785
      8.535452  5.690301  0.000000    -0.003286   -0.034236   -0.056468
      2.845151  0.000000  5.690301     0.003286    0.034236    0.056468
      8.535452  0.000000  5.690301     0.003286    0.094555    0.087785
      2.845151  5.690301  5.690301     0.034756    0.034236   -0.087785
      8.535452  5.690301  5.690301     0.034756    0.094555   -0.056468
      0.000000  2.845151  0.000000    -0.055526   -0.057617    0.114287
      5.690301  2.845151  0.000000    -0.055526   -0.071174   -0.050643
      0.000000  8.535452  0.000000     0.017484   -0.057617    0.050643
      5.690301  8.535452  0.000000     0.017484   -0.071174   -0.114287
      0.000000  2.845151  5.690301    -0.017484    0.071174    0.114287
      5.690301  2.845151  5.690301    -0.017484    0.057617   -0.050643
      0.000000  8.535452  5.690301     0.055526    0.071174    0.050643
      5.690301  8.535452  5.690301     0.055526    0.057617   -0.114287
      0.000000  0.000000  2.845151    -0.009872    0.087350    0.154591
      5.690301  0.000000  2.845151    -0.009872    0.073792   -0.010339
      0.000000  5.690301  2.845151     0.021599    0.087350    0.010339
      5.690301  5.690301  2.845151     0.021599    0.073792   -0.154591
      0.000000  0.000000  8.535452    -0.021599   -0.073792    0.154591
      5.690301  0.000000  8.535452    -0.021599   -0.087350   -0.010339
      0.000000  5.690301  8.535452     0.009872   -0.073792    0.010339
      5.690301  5.690301  8.535452     0.009872   -0.087350   -0.154591

  67 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.072570    0.064350   -0.037784
      5.690301  0.000000  0.000000     0.072570   -0.005394   -0.015654
      0.000000  5.690301  0.000000    -0.032452    0.064350    0.015654
      5.690301  5.690301  0.000000    -0.032452   -0.005394    0.037784
      0.000000  0.000000  5.690301     0.032452    0.005394   -0.037784
      5.690301  0.000000  5.690301     0.032452   -0.064350   -0.015654
      0.000000  5.690301  5.690301    -0.072570    0.005394    0.015654
      5.690301  5.690301  5.690301    -0.072570   -0.064350    0.037784
      0.000000  2.845151  2.845151     0.106292    0.079446   -0.003326
      5.690301  2.845151  2.845151     0.106292    0.009702    0.018805
      0.000000  8.535452  2.845151    -0.008144    0.079446   -0.018805
      5.690301  8.535452  2.845151    -0.008144    0.009702    0.003326
      0.000000  2.845151  8.535452     0.008144   -0.009702   -0.003326
      5.690301  2.845151  8.535452     0.008144   -0.079446    0.018805
      0.000000  8.535452  8.535452    -0.106292   -0.009702   -0.018805
      5.690301  8.535452  8.535452    -0.106292   -0.079446    0.003326
      2.845151  0.000000  2.845151     0.101585   -0.004853   -0.166061
      8.535452  0.000000  2.845151     0.101585    0.094000    0.112623
      2.845151  5.690301  2.845151    -0.003436   -0.004853   -0.112623
      8.535452  5.690301  2.845151    -0.003436    0.094000    0.166061
      2.845151  0.000000  8.535452     0.003436   -0.094000   -0.166061
      8.535452  0.000000  8.535452     0.003436    0.004853    0.112623
      2.845151  5.690301  8.535452    -0.101585   -0.094000   -0.112623
      8.535452  5.690301  8.535452    -0.101585    0.004853    0.166061
      2.845151  2.845151  0.000000     0.077277   -0.019949   -0.131602
      8.535452  2.845151  0.000000     0.077277    0.078904    0.147081
      2.845151  8.535452  0.000000    -0.037159   -0.019949   -0.147081
      8.535452  8.535452  0.000000    -0.037159    0.078904    0.131602
      2.845151  2.845151  5.690301     0.037159   -0.078904   -0.131602
      8.535452  2.845151  5.690301     0.037159    0.019949    0.147081
      2.845151  8.535452  5.690301    -0.077277   -0.078904   -0.147081
      8.535452  8.535452  5.690301    -0.077277    0.019949    0.131602
      2.845151  2.845151  2.845151    -0.092188    0.004209    0.114139
      8.535452  2.845151  2.845151    -0.092188   -0.081527   -0.127565
      2.845151  8.535452  2.845151     0.007063    0.004209    0.127565
      8.535452  8.535452  2.845151     0.007063   -0.081527   -0.114139
      2.845151  2.845151  8.535452    -0.007063    0.081527    0.114139
      8.535452  2.845151  8.535452    -0.007063   -0.004209   -0.127565
      2.845151  8.535452  8.535452     0.092188    0.081527    0.127565
      8.535452  8.535452  8.535452     0.092188   -0.004209   -0.114139
      2.845151  0.000000  0.000000    -0.062940    0.017302    0.144025
      8.535452  0.000000  0.000000    -0.062940   -0.068434   -0.097678
      2.845151  5.690301  0.000000     0.028146    0.017302    0.097678
      8.535452  5.690301  0.000000     0.028146   -0.068434   -0.144025
      2.845151  0.000000  5.690301    -0.028146    0.068434    0.144025
      8.535452  0.000000  5.690301    -0.028146   -0.017302   -0.097678
      2.845151  5.690301  5.690301     0.062940    0.068434    0.097678
      8.535452  5.690301  5.690301     0.062940   -0.017302   -0.144025
      0.000000  2.845151  0.000000    -0.067022   -0.055811    0.002884
      5.690301  2.845151  0.000000    -0.067022    0.004679   -0.016310
      0.000000  8.535452  0.000000     0.032228   -0.055811    0.016310
      5.690301  8.535452  0.000000     0.032228    0.004679   -0.002884
      0.000000  2.845151  5.690301    -0.032228   -0.004679    0.002884
      5.690301  2.845151  5.690301    -0.032228    0.055811   -0.016310
      0.000000  8.535452  5.690301     0.067022   -0.004679    0.016310
      5.690301  8.535452  5.690301     0.067022    0.055811   -0.002884
      0.000000  0.000000  2.845151    -0.088105   -0.068904    0.032770
      5.690301  0.000000  2.845151    -0.088105   -0.008414    0.013577
      0.000000  5.690301  2.845151     0.002980   -0.068904   -0.013577
      5.690301  5.690301  2.845151     0.002980   -0.008414   -0.032770
      0.000000  0.000000  8.535452    -0.002980    0.008414    0.032770
      5.690301  0.000000  8.535452    -0.002980    0.068904    0.013577
      0.000000  5.690301  8.535452     0.088105    0.008414   -0.013577
      5.690301  5.690301  8.535452     0.088105    0.068904   -0.032770

  68 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.045899    0.020434    0.111846
      5.690301  0.000000  0.000000    -0.045899    0.122842    0.081359
      0.000000  5.690301  0.000000     0.088028    0.020434   -0.081359
      5.690301  5.690301  0.000000     0.088028    0.122842   -0.111846
      0.000000  0.000000  5.690301    -0.088028   -0.122842    0.111846
      5.690301  0.000000  5.690301    -0.088028   -0.020434    0.081359
      0.000000  5.690301  5.690301     0.045899   -0.122842   -0.081359
      5.690301  5.690301  5.690301     0.045899   -0.020434   -0.111846
      0.000000  2.845151  2.845151    -0.039521   -0.092403   -0.002582
      5.690301  2.845151  2.845151    -0.039521    0.010005   -0.033070
      0.000000  8.535452  2.845151    -0.018541   -0.092403    0.033070
      5.690301  8.535452  2.845151    -0.018541    0.010005    0.002582
      0.000000  2.845151  8.535452     0.018541   -0.010005   -0.002582
      5.690301  2.845151  8.535452     0.018541    0.092403   -0.033070
      0.000000  8.535452  8.535452     0.039521   -0.010005    0.033070
      5.690301  8.535452  8.535452     0.039521    0.092403    0.002582
      2.845151  0.000000  2.845151    -0.095994    0.012158    0.009379
      8.535452  0.000000  2.845151    -0.095994   -0.094556    0.183826
      2.845151  5.690301  2.845151     0.037933    0.012158   -0.183826
      8.535452  5.690301  2.845151     0.037933   -0.094556   -0.009379
      2.845151  0.000000  8.535452    -0.037933    0.094556    0.009379
      8.535452  0.000000  8.535452    -0.037933   -0.012158    0.183826
      2.845151  5.690301  8.535452     0.095994    0.094556   -0.183826
      8.535452  5.690301  8.535452     0.095994   -0.012158   -0.009379
      2.845151  2.845151  0.000000     0.010574    0.124995   -0.105050
      8.535452  2.845151  0.000000     0.010574    0.018281    0.069398
      2.845151  8.535452  0.000000     0.031554    0.124995   -0.069398
      8.535452  8.535452  0.000000     0.031554    0.018281    0.105050
      2.845151  2.845151  5.690301    -0.031554   -0.018281   -0.105050
      8.535452  2.845151  5.690301    -0.031554   -0.124995    0.069398
      2.845151  8.535452  5.690301    -0.010574   -0.018281   -0.069398
      8.535452  8.535452  5.690301    -0.010574   -0.124995    0.105050
      2.845151  2.845151  2.845151     0.034277   -0.010545    0.091110
      8.535452  2.845151  2.845151     0.034277    0.082009   -0.060189
      2.845151  8.535452  2.845151     0.016080   -0.010545    0.060189
      8.535452  8.535452  2.845151     0.016080    0.082009   -0.091110
      2.845151  2.845151  8.535452    -0.016080   -0.082009    0.091110
      8.535452  2.845151  8.535452    -0.016080    0.010545   -0.060189
      2.845151  8.535452  8.535452    -0.034277   -0.082009    0.060189
      8.535452  8.535452  8.535452    -0.034277    0.010545   -0.091110
      2.845151  0.000000  0.000000     0.039809   -0.108409   -0.008134
      8.535452  0.000000  0.000000     0.039809   -0.015855   -0.159434
      2.845151  5.690301  0.000000    -0.076347   -0.108409    0.159434
      8.535452  5.690301  0.000000    -0.076347   -0.015855    0.008134
      2.845151  0.000000  5.690301     0.076347    0.015855   -0.008134
      8.535452  0.000000  5.690301     0.076347    0.108409   -0.159434
      2.845151  5.690301  5.690301    -0.039809    0.015855    0.159434
      8.535452  5.690301  5.690301    -0.039809    0.108409    0.008134
      0.000000  2.845151  0.000000    -0.009171   -0.017723    0.002240
      5.690301  2.845151  0.000000    -0.009171   -0.106542    0.028682
      0.000000  8.535452  0.000000    -0.027367   -0.017723   -0.028682
      5.690301  8.535452  0.000000    -0.027367   -0.106542   -0.002240
      0.000000  2.845151  5.690301     0.027367    0.106542    0.002240
      5.690301  2.845151  5.690301     0.027367    0.017723    0.028682
      0.000000  8.535452  5.690301     0.009171    0.106542   -0.028682
      5.690301  8.535452  5.690301     0.009171    0.017723   -0.002240
      0.000000  0.000000  2.845151     0.083256    0.080141   -0.097005
      5.690301  0.000000  2.845151     0.083256   -0.008678   -0.070563
      0.000000  5.690301  2.845151    -0.032899    0.080141    0.070563
      5.690301  5.690301  2.845151    -0.032899   -0.008678    0.097005
      0.000000  0.000000  8.535452     0.032899    0.008678   -0.097005
      5.690301  0.000000  8.535452     0.032899   -0.080141   -0.070563
      0.000000  5.690301  8.535452    -0.083256    0.008678    0.070563
      5.690301  5.690301  8.535452    -0.083256   -0.080141    0.097005

  69 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.093894   -0.102200    0.000383
      5.690301  0.000000  0.000000     0.093894   -0.047013    0.061313
      0.000000  5.690301  0.000000     0.089626   -0.102200   -0.061313
      5.690301  5.690301  0.000000     0.089626   -0.047013   -0.000383
      0.000000  0.000000  5.690301    -0.089626    0.047013    0.000383
      5.690301  0.000000  5.690301    -0.089626    0.102200    0.061313
      0.000000  5.690301  5.690301    -0.093894    0.047013   -0.061313
      5.690301  5.690301  5.690301    -0.093894    0.102200   -0.000383
      0.000000  2.845151  2.845151     0.060727    0.028751   -0.092675
      5.690301  2.845151  2.845151     0.060727    0.083938   -0.031744
      0.000000  8.535452  2.845151    -0.128799    0.028751    0.031744
      5.690301  8.535452  2.845151    -0.128799    0.083938    0.092675
      0.000000  2.845151  8.535452     0.128799   -0.083938   -0.092675
      5.690301  2.845151  8.535452     0.128799   -0.028751   -0.031744
      0.000000  8.535452  8.535452    -0.060727   -0.083938    0.031744
      5.690301  8.535452  8.535452    -0.060727   -0.028751    0.092675
      2.845151  0.000000  2.845151    -0.031902    0.096704    0.045854
      8.535452  0.000000  2.845151    -0.031902    0.015984    0.015842
      2.845151  5.690301  2.845151    -0.036170    0.096704   -0.015842
      8.535452  5.690301  2.845151    -0.036170    0.015984   -0.045854
      2.845151  0.000000  8.535452     0.036170   -0.015984    0.045854
      8.535452  0.000000  8.535452     0.036170   -0.096704    0.015842
      2.845151  5.690301  8.535452     0.031902   -0.015984   -0.015842
      8.535452  5.690301  8.535452     0.031902   -0.096704   -0.045854
      2.845151  2.845151  0.000000     0.186523   -0.034247   -0.047203
      8.535452  2.845151  0.000000     0.186523   -0.114967   -0.077216
      2.845151  8.535452  0.000000    -0.003003   -0.034247    0.077216
      8.535452  8.535452  0.000000    -0.003003   -0.114967    0.047203
      2.845151  2.845151  5.690301     0.003003    0.114967   -0.047203
      8.535452  2.845151  5.690301     0.003003    0.034247   -0.077216
      2.845151  8.535452  5.690301    -0.186523    0.114967    0.077216
      8.535452  8.535452  5.690301    -0.186523    0.034247    0.047203
      2.845151  2.845151  2.845151    -0.052668   -0.083872    0.040940
      8.535452  2.845151  2.845151    -0.052668   -0.013863    0.066970
      2.845151  8.535452  2.845151     0.111708   -0.083872   -0.066970
      8.535452  8.535452  2.845151     0.111708   -0.013863   -0.040940
      2.845151  2.845151  8.535452    -0.111708    0.013863    0.040940
      8.535452  2.845151  8.535452    -0.111708    0.083872    0.066970
      2.845151  8.535452  8.535452     0.052668    0.013863   -0.066970
      8.535452  8.535452  8.535452     0.052668    0.083872   -0.040940
      2.845151  0.000000  0.000000    -0.081435    0.029702   -0.039770
      8.535452  0.000000  0.000000    -0.081435    0.099711   -0.013740
      2.845151  5.690301  0.000000    -0.077734    0.029702    0.013740
      8.535452  5.690301  0.000000    -0.077734    0.099711    0.039770
      2.845151  0.000000  5.690301     0.077734   -0.099711   -0.039770
      8.535452  0.000000  5.690301     0.077734   -0.029702   -0.013740
      2.845151  5.690301  5.690301     0.081435   -0.099711    0.013740
      8.535452  5.690301  5.690301     0.081435   -0.029702    0.039770
      0.000000  2.845151  0.000000    -0.161772    0.088639    0.080377
      5.690301  2.845151  0.000000    -0.161772    0.040775    0.027532
      0.000000  8.535452  0.000000     0.002604    0.088639   -0.027532
      5.690301  8.535452  0.000000     0.002604    0.040775   -0.080377
      0.000000  2.845151  5.690301    -0.002604   -0.040775    0.080377
      5.690301  2.845151  5.690301    -0.002604   -0.088639    0.027532
      0.000000  8.535452  5.690301     0.161772   -0.040775   -0.027532
      5.690301  8.535452  5.690301     0.161772   -0.088639   -0.080377
      0.000000  0.000000  2.845151     0.027669   -0.024936   -0.000332
      5.690301  0.000000  2.845151     0.027669   -0.072800   -0.053177
      0.000000  5.690301  2.845151     0.031370   -0.024936    0.053177
      5.690301  5.690301  2.845151     0.031370   -0.072800    0.000332
      0.000000  0.000000  8.535452    -0.031370    0.072800   -0.000332
      5.690301  0.000000  8.535452    -0.031370    0.024936   -0.053177
      0.000000  5.690301  8.535452    -0.027669    0.072800    0.053177
      5.690301  5.690301  8.535452    -0.027669    0.024936    0.000332

  70 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.062581    0.038116    0.024170
      5.690301  0.000000  0.000000    -0.062581    0.148590   -0.039040
      0.000000  5.690301  0.000000    -0.070079    0.038116    0.039040
      5.690301  5.690301  0.000000    -0.070079    0.148590   -0.024170
      0.000000  0.000000  5.690301     0.070079   -0.148590    0.024170
      5.690301  0.000000  5.690301     0.070079   -0.038116   -0.039040
      0.000000  5.690301  5.690301     0.062581   -0.148590    0.039040
      5.690301  5.690301  5.690301     0.062581   -0.038116   -0.024170
      0.000000  2.845151  2.845151     0.002897    0.017475    0.005454
      5.690301  2.845151  2.845151     0.002897    0.127949   -0.057757
      0.000000  8.535452  2.845151    -0.128791    0.017475    0.057757
      5.690301  8.535452  2.845151    -0.128791    0.127949   -0.005454
      0.000000  2.845151  8.535452     0.128791   -0.127949    0.005454
      5.690301  2.845151  8.535452     0.128791   -0.017475   -0.057757
      0.000000  8.535452  8.535452    -0.002897   -0.127949    0.057757
      5.690301  8.535452  8.535452    -0.002897   -0.017475   -0.005454
      2.845151  0.000000  2.845151    -0.059198    0.022897    0.033615
      8.535452  0.000000  2.845151    -0.059198    0.122526   -0.048485
      2.845151  5.690301  2.845151    -0.066696    0.022897    0.048485
      8.535452  5.690301  2.845151    -0.066696    0.122526   -0.033615
      2.845151  0.000000  8.535452     0.066696   -0.122526    0.033615
      8.535452  0.000000  8.535452     0.066696   -0.022897   -0.048485
      2.845151  5.690301  8.535452     0.059198   -0.122526    0.048485
      8.535452  5.690301  8.535452     0.059198   -0.022897   -0.033615
      2.845151  2.845151  0.000000    -0.000487    0.043538    0.014899
      8.535452  2.845151  0.000000    -0.000487    0.143167   -0.067202
      2.845151  8.535452  0.000000    -0.132174    0.043538    0.067202
      8.535452  8.535452  0.000000    -0.132174    0.143167   -0.014899
      2.845151  2.845151  5.690301     0.132174   -0.143167    0.014899
      8.535452  2.845151  5.690301     0.132174   -0.043538   -0.067202
      2.845151  8.535452  5.690301     0.000487   -0.143167    0.067202
      8.535452  8.535452  5.690301     0.000487   -0.043538   -0.014899
      2.845151  2.845151  2.845151    -0.002512   -0.019859   -0.012922
      8.535452  2.845151  2.845151    -0.002512   -0.106268    0.058284
      2.845151  8.535452  2.845151     0.111701   -0.019859   -0.058284
      8.535452  8.535452  2.845151     0.111701   -0.106268    0.012922
      2.845151  2.845151  8.535452    -0.111701    0.106268   -0.012922
      8.535452  2.845151  8.535452    -0.111701    0.019859    0.058284
      2.845151  8.535452  8.535452     0.002512    0.106268   -0.058284
      8.535452  8.535452  8.535452     0.002512    0.019859    0.012922
      2.845151  0.000000  0.000000     0.054277   -0.037761   -0.029155
      8.535452  0.000000  0.000000     0.054277   -0.124170    0.042052
      2.845151  5.690301  0.000000     0.060780   -0.037761   -0.042052
      8.535452  5.690301  0.000000     0.060780   -0.124170    0.029155
      2.845151  0.000000  5.690301    -0.060780    0.124170   -0.029155
      8.535452  0.000000  5.690301    -0.060780    0.037761    0.042052
      2.845151  5.690301  5.690301    -0.054277    0.124170   -0.042052
      8.535452  5.690301  5.690301    -0.054277    0.037761    0.029155
      0.000000  2.845151  0.000000     0.000422   -0.033058   -0.004730
      5.690301  2.845151  0.000000     0.000422   -0.128873    0.050093
      0.000000  8.535452  0.000000     0.114635   -0.033058   -0.050093
      5.690301  8.535452  0.000000     0.114635   -0.128873    0.004730
      0.000000  2.845151  5.690301    -0.114635    0.128873   -0.004730
      5.690301  2.845151  5.690301    -0.114635    0.033058    0.050093
      0.000000  8.535452  5.690301    -0.000422    0.128873   -0.050093
      5.690301  8.535452  5.690301    -0.000422    0.033058    0.004730
      0.000000  0.000000  2.845151     0.051343   -0.015156   -0.020963
      5.690301  0.000000  2.845151     0.051343   -0.110971    0.033860
      0.000000  5.690301  2.845151     0.057846   -0.015156   -0.033860
      5.690301  5.690301  2.845151     0.057846   -0.110971    0.020963
      0.000000  0.000000  8.535452    -0.057846    0.110971   -0.020963
      5.690301  0.000000  8.535452    -0.057846    0.015156    0.033860
      0.000000  5.690301  8.535452    -0.051343    0.110971   -0.033860
      5.690301  5.690301  8.535452    -0.051343    0.015156    0.020963

  71 f  =    4.738403 THz    29.772266 2PiTHz  158.056115 cm-1    19.596468 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.055141   -0.054297    0.089259
      5.690301  0.000000  0.000000    -0.055141   -0.027426   -0.008003
      0.000000  5.690301  0.000000    -0.024972   -0.054297    0.008003
      5.690301  5.690301  0.000000    -0.024972   -0.027426   -0.089259
      0.000000  0.000000  5.690301     0.024972    0.027426    0.089259
      5.690301  0.000000  5.690301     0.024972    0.054297   -0.008003
      0.000000  5.690301  5.690301     0.055141    0.027426    0.008003
      5.690301  5.690301  5.690301     0.055141    0.054297   -0.089259
      0.000000  2.845151  2.845151     0.162481   -0.115958    0.045587
      5.690301  2.845151  2.845151     0.162481   -0.089087   -0.051675
      0.000000  8.535452  2.845151    -0.048430   -0.115958    0.051675
      5.690301  8.535452  2.845151    -0.048430   -0.089087   -0.045587
      0.000000  2.845151  8.535452     0.048430    0.089087    0.045587
      5.690301  2.845151  8.535452     0.048430    0.115958   -0.051675
      0.000000  8.535452  8.535452    -0.162481    0.089087    0.051675
      5.690301  8.535452  8.535452    -0.162481    0.115958   -0.045587
      2.845151  0.000000  2.845151     0.041941   -0.156123    0.054953
      8.535452  0.000000  2.845151     0.041941   -0.048923    0.026303
      2.845151  5.690301  2.845151     0.072110   -0.156123   -0.026303
      8.535452  5.690301  2.845151     0.072110   -0.048923   -0.054953
      2.845151  0.000000  8.535452    -0.072110    0.048923    0.054953
      8.535452  0.000000  8.535452    -0.072110    0.156123    0.026303
      2.845151  5.690301  8.535452    -0.041941    0.048923   -0.026303
      8.535452  5.690301  8.535452    -0.041941    0.156123   -0.054953
      2.845151  2.845151  0.000000     0.065399   -0.094462    0.011281
      8.535452  2.845151  0.000000     0.065399    0.012738   -0.017369
      2.845151  8.535452  0.000000    -0.145512   -0.094462    0.017369
      8.535452  8.535452  0.000000    -0.145512    0.012738   -0.011281
      2.845151  2.845151  5.690301     0.145512   -0.012738    0.011281
      8.535452  2.845151  5.690301     0.145512    0.094462   -0.017369
      2.845151  8.535452  5.690301    -0.065399   -0.012738    0.017369
      8.535452  8.535452  5.690301    -0.065399    0.094462   -0.011281
      2.845151  2.845151  2.845151    -0.140921    0.135406   -0.009784
      8.535452  2.845151  2.845151    -0.140921    0.042431    0.015064
      2.845151  8.535452  2.845151     0.042004    0.135406   -0.015064
      8.535452  8.535452  2.845151     0.042004    0.042431    0.009784
      2.845151  2.845151  8.535452    -0.042004   -0.042431   -0.009784
      8.535452  2.845151  8.535452    -0.042004   -0.135406    0.015064
      2.845151  8.535452  8.535452     0.140921   -0.042431   -0.015064
      8.535452  8.535452  8.535452     0.140921   -0.135406    0.009784
      2.845151  0.000000  0.000000     0.047824    0.081927   -0.047661
      8.535452  0.000000  0.000000     0.047824   -0.011048   -0.022813
      2.845151  5.690301  0.000000     0.021659    0.081927    0.022813
      8.535452  5.690301  0.000000     0.021659   -0.011048    0.047661
      2.845151  0.000000  5.690301    -0.021659    0.011048   -0.047661
      8.535452  0.000000  5.690301    -0.021659   -0.081927   -0.022813
      2.845151  5.690301  5.690301    -0.047824    0.011048    0.022813
      8.535452  5.690301  5.690301    -0.047824   -0.081927    0.047661
      0.000000  2.845151  0.000000    -0.056721    0.047092   -0.039538
      5.690301  2.845151  0.000000    -0.056721    0.023787    0.044818
      0.000000  8.535452  0.000000     0.126204    0.047092   -0.044818
      5.690301  8.535452  0.000000     0.126204    0.023787    0.039538
      0.000000  2.845151  5.690301    -0.126204   -0.023787   -0.039538
      5.690301  2.845151  5.690301    -0.126204   -0.047092    0.044818
      0.000000  8.535452  5.690301     0.056721   -0.023787   -0.044818
      5.690301  8.535452  5.690301     0.056721   -0.047092    0.039538
      0.000000  0.000000  2.845151    -0.036376    0.100571   -0.077415
      5.690301  0.000000  2.845151    -0.036376    0.077266    0.006941
      0.000000  5.690301  2.845151    -0.062542    0.100571   -0.006941
      5.690301  5.690301  2.845151    -0.062542    0.077266    0.077415
      0.000000  0.000000  8.535452     0.062542   -0.077266   -0.077415
      5.690301  0.000000  8.535452     0.062542   -0.100571    0.006941
      0.000000  5.690301  8.535452     0.036376   -0.077266   -0.006941
      5.690301  5.690301  8.535452     0.036376   -0.100571    0.077415

  72 f  =    4.623311 THz    29.049120 2PiTHz  154.217049 cm-1    19.120484 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.087682    0.035865    0.098964
      5.690301  0.000000  0.000000     0.087682    0.035865    0.098964
      0.000000  5.690301  0.000000     0.087682    0.035865    0.098964
      5.690301  5.690301  0.000000     0.087682    0.035865    0.098964
      0.000000  0.000000  5.690301     0.087682    0.035865    0.098964
      5.690301  0.000000  5.690301     0.087682    0.035865    0.098964
      0.000000  5.690301  5.690301     0.087682    0.035865    0.098964
      5.690301  5.690301  5.690301     0.087682    0.035865    0.098964
      0.000000  2.845151  2.845151     0.087682    0.035865    0.098964
      5.690301  2.845151  2.845151     0.087682    0.035865    0.098964
      0.000000  8.535452  2.845151     0.087682    0.035865    0.098964
      5.690301  8.535452  2.845151     0.087682    0.035865    0.098964
      0.000000  2.845151  8.535452     0.087682    0.035865    0.098964
      5.690301  2.845151  8.535452     0.087682    0.035865    0.098964
      0.000000  8.535452  8.535452     0.087682    0.035865    0.098964
      5.690301  8.535452  8.535452     0.087682    0.035865    0.098964
      2.845151  0.000000  2.845151     0.087682    0.035865    0.098964
      8.535452  0.000000  2.845151     0.087682    0.035865    0.098964
      2.845151  5.690301  2.845151     0.087682    0.035865    0.098964
      8.535452  5.690301  2.845151     0.087682    0.035865    0.098964
      2.845151  0.000000  8.535452     0.087682    0.035865    0.098964
      8.535452  0.000000  8.535452     0.087682    0.035865    0.098964
      2.845151  5.690301  8.535452     0.087682    0.035865    0.098964
      8.535452  5.690301  8.535452     0.087682    0.035865    0.098964
      2.845151  2.845151  0.000000     0.087682    0.035865    0.098964
      8.535452  2.845151  0.000000     0.087682    0.035865    0.098964
      2.845151  8.535452  0.000000     0.087682    0.035865    0.098964
      8.535452  8.535452  0.000000     0.087682    0.035865    0.098964
      2.845151  2.845151  5.690301     0.087682    0.035865    0.098964
      8.535452  2.845151  5.690301     0.087682    0.035865    0.098964
      2.845151  8.535452  5.690301     0.087682    0.035865    0.098964
      8.535452  8.535452  5.690301     0.087682    0.035865    0.098964
      2.845151  2.845151  2.845151    -0.071504   -0.029248   -0.080705
      8.535452  2.845151  2.845151    -0.071504   -0.029248   -0.080705
      2.845151  8.535452  2.845151    -0.071504   -0.029248   -0.080705
      8.535452  8.535452  2.845151    -0.071504   -0.029248   -0.080705
      2.845151  2.845151  8.535452    -0.071504   -0.029248   -0.080705
      8.535452  2.845151  8.535452    -0.071504   -0.029248   -0.080705
      2.845151  8.535452  8.535452    -0.071504   -0.029248   -0.080705
      8.535452  8.535452  8.535452    -0.071504   -0.029248   -0.080705
      2.845151  0.000000  0.000000    -0.071504   -0.029248   -0.080705
      8.535452  0.000000  0.000000    -0.071504   -0.029248   -0.080705
      2.845151  5.690301  0.000000    -0.071504   -0.029248   -0.080705
      8.535452  5.690301  0.000000    -0.071504   -0.029248   -0.080705
      2.845151  0.000000  5.690301    -0.071504   -0.029248   -0.080705
      8.535452  0.000000  5.690301    -0.071504   -0.029248   -0.080705
      2.845151  5.690301  5.690301    -0.071504   -0.029248   -0.080705
      8.535452  5.690301  5.690301    -0.071504   -0.029248   -0.080705
      0.000000  2.845151  0.000000    -0.071504   -0.029248   -0.080705
      5.690301  2.845151  0.000000    -0.071504   -0.029248   -0.080705
      0.000000  8.535452  0.000000    -0.071504   -0.029248   -0.080705
      5.690301  8.535452  0.000000    -0.071504   -0.029248   -0.080705
      0.000000  2.845151  5.690301    -0.071504   -0.029248   -0.080705
      5.690301  2.845151  5.690301    -0.071504   -0.029248   -0.080705
      0.000000  8.535452  5.690301    -0.071504   -0.029248   -0.080705
      5.690301  8.535452  5.690301    -0.071504   -0.029248   -0.080705
      0.000000  0.000000  2.845151    -0.071504   -0.029248   -0.080705
      5.690301  0.000000  2.845151    -0.071504   -0.029248   -0.080705
      0.000000  5.690301  2.845151    -0.071504   -0.029248   -0.080705
      5.690301  5.690301  2.845151    -0.071504   -0.029248   -0.080705
      0.000000  0.000000  8.535452    -0.071504   -0.029248   -0.080705
      5.690301  0.000000  8.535452    -0.071504   -0.029248   -0.080705
      0.000000  5.690301  8.535452    -0.071504   -0.029248   -0.080705
      5.690301  5.690301  8.535452    -0.071504   -0.029248   -0.080705

  73 f  =    4.623311 THz    29.049120 2PiTHz  154.217049 cm-1    19.120484 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.057635   -0.091420    0.084196
      5.690301  0.000000  0.000000    -0.057635   -0.091420    0.084196
      0.000000  5.690301  0.000000    -0.057635   -0.091420    0.084196
      5.690301  5.690301  0.000000    -0.057635   -0.091420    0.084196
      0.000000  0.000000  5.690301    -0.057635   -0.091420    0.084196
      5.690301  0.000000  5.690301    -0.057635   -0.091420    0.084196
      0.000000  5.690301  5.690301    -0.057635   -0.091420    0.084196
      5.690301  5.690301  5.690301    -0.057635   -0.091420    0.084196
      0.000000  2.845151  2.845151    -0.057635   -0.091420    0.084196
      5.690301  2.845151  2.845151    -0.057635   -0.091420    0.084196
      0.000000  8.535452  2.845151    -0.057635   -0.091420    0.084196
      5.690301  8.535452  2.845151    -0.057635   -0.091420    0.084196
      0.000000  2.845151  8.535452    -0.057635   -0.091420    0.084196
      5.690301  2.845151  8.535452    -0.057635   -0.091420    0.084196
      0.000000  8.535452  8.535452    -0.057635   -0.091420    0.084196
      5.690301  8.535452  8.535452    -0.057635   -0.091420    0.084196
      2.845151  0.000000  2.845151    -0.057635   -0.091420    0.084196
      8.535452  0.000000  2.845151    -0.057635   -0.091420    0.084196
      2.845151  5.690301  2.845151    -0.057635   -0.091420    0.084196
      8.535452  5.690301  2.845151    -0.057635   -0.091420    0.084196
      2.845151  0.000000  8.535452    -0.057635   -0.091420    0.084196
      8.535452  0.000000  8.535452    -0.057635   -0.091420    0.084196
      2.845151  5.690301  8.535452    -0.057635   -0.091420    0.084196
      8.535452  5.690301  8.535452    -0.057635   -0.091420    0.084196
      2.845151  2.845151  0.000000    -0.057635   -0.091420    0.084196
      8.535452  2.845151  0.000000    -0.057635   -0.091420    0.084196
      2.845151  8.535452  0.000000    -0.057635   -0.091420    0.084196
      8.535452  8.535452  0.000000    -0.057635   -0.091420    0.084196
      2.845151  2.845151  5.690301    -0.057635   -0.091420    0.084196
      8.535452  2.845151  5.690301    -0.057635   -0.091420    0.084196
      2.845151  8.535452  5.690301    -0.057635   -0.091420    0.084196
      8.535452  8.535452  5.690301    -0.057635   -0.091420    0.084196
      2.845151  2.845151  2.845151     0.047001    0.074553   -0.068662
      8.535452  2.845151  2.845151     0.047001    0.074553   -0.068662
      2.845151  8.535452  2.845151     0.047001    0.074553   -0.068662
      8.535452  8.535452  2.845151     0.047001    0.074553   -0.068662
      2.845151  2.845151  8.535452     0.047001    0.074553   -0.068662
      8.535452  2.845151  8.535452     0.047001    0.074553   -0.068662
      2.845151  8.535452  8.535452     0.047001    0.074553   -0.068662
      8.535452  8.535452  8.535452     0.047001    0.074553   -0.068662
      2.845151  0.000000  0.000000     0.047001    0.074553   -0.068662
      8.535452  0.000000  0.000000     0.047001    0.074553   -0.068662
      2.845151  5.690301  0.000000     0.047001    0.074553   -0.068662
      8.535452  5.690301  0.000000     0.047001    0.074553   -0.068662
      2.845151  0.000000  5.690301     0.047001    0.074553   -0.068662
      8.535452  0.000000  5.690301     0.047001    0.074553   -0.068662
      2.845151  5.690301  5.690301     0.047001    0.074553   -0.068662
      8.535452  5.690301  5.690301     0.047001    0.074553   -0.068662
      0.000000  2.845151  0.000000     0.047001    0.074553   -0.068662
      5.690301  2.845151  0.000000     0.047001    0.074553   -0.068662
      0.000000  8.535452  0.000000     0.047001    0.074553   -0.068662
      5.690301  8.535452  0.000000     0.047001    0.074553   -0.068662
      0.000000  2.845151  5.690301     0.047001    0.074553   -0.068662
      5.690301  2.845151  5.690301     0.047001    0.074553   -0.068662
      0.000000  8.535452  5.690301     0.047001    0.074553   -0.068662
      5.690301  8.535452  5.690301     0.047001    0.074553   -0.068662
      0.000000  0.000000  2.845151     0.047001    0.074553   -0.068662
      5.690301  0.000000  2.845151     0.047001    0.074553   -0.068662
      0.000000  5.690301  2.845151     0.047001    0.074553   -0.068662
      5.690301  5.690301  2.845151     0.047001    0.074553   -0.068662
      0.000000  0.000000  8.535452     0.047001    0.074553   -0.068662
      5.690301  0.000000  8.535452     0.047001    0.074553   -0.068662
      0.000000  5.690301  8.535452     0.047001    0.074553   -0.068662
      5.690301  5.690301  8.535452     0.047001    0.074553   -0.068662

  74 f  =    4.623311 THz    29.049120 2PiTHz  154.217049 cm-1    19.120484 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.088082    0.095522    0.043422
      5.690301  0.000000  0.000000    -0.088082    0.095522    0.043422
      0.000000  5.690301  0.000000    -0.088082    0.095522    0.043422
      5.690301  5.690301  0.000000    -0.088082    0.095522    0.043422
      0.000000  0.000000  5.690301    -0.088082    0.095522    0.043422
      5.690301  0.000000  5.690301    -0.088082    0.095522    0.043422
      0.000000  5.690301  5.690301    -0.088082    0.095522    0.043422
      5.690301  5.690301  5.690301    -0.088082    0.095522    0.043422
      0.000000  2.845151  2.845151    -0.088082    0.095522    0.043422
      5.690301  2.845151  2.845151    -0.088082    0.095522    0.043422
      0.000000  8.535452  2.845151    -0.088082    0.095522    0.043422
      5.690301  8.535452  2.845151    -0.088082    0.095522    0.043422
      0.000000  2.845151  8.535452    -0.088082    0.095522    0.043422
      5.690301  2.845151  8.535452    -0.088082    0.095522    0.043422
      0.000000  8.535452  8.535452    -0.088082    0.095522    0.043422
      5.690301  8.535452  8.535452    -0.088082    0.095522    0.043422
      2.845151  0.000000  2.845151    -0.088082    0.095522    0.043422
      8.535452  0.000000  2.845151    -0.088082    0.095522    0.043422
      2.845151  5.690301  2.845151    -0.088082    0.095522    0.043422
      8.535452  5.690301  2.845151    -0.088082    0.095522    0.043422
      2.845151  0.000000  8.535452    -0.088082    0.095522    0.043422
      8.535452  0.000000  8.535452    -0.088082    0.095522    0.043422
      2.845151  5.690301  8.535452    -0.088082    0.095522    0.043422
      8.535452  5.690301  8.535452    -0.088082    0.095522    0.043422
      2.845151  2.845151  0.000000    -0.088082    0.095522    0.043422
      8.535452  2.845151  0.000000    -0.088082    0.095522    0.043422
      2.845151  8.535452  0.000000    -0.088082    0.095522    0.043422
      8.535452  8.535452  0.000000    -0.088082    0.095522    0.043422
      2.845151  2.845151  5.690301    -0.088082    0.095522    0.043422
      8.535452  2.845151  5.690301    -0.088082    0.095522    0.043422
      2.845151  8.535452  5.690301    -0.088082    0.095522    0.043422
      8.535452  8.535452  5.690301    -0.088082    0.095522    0.043422
      2.845151  2.845151  2.845151     0.071831   -0.077898   -0.035411
      8.535452  2.845151  2.845151     0.071831   -0.077898   -0.035411
      2.845151  8.535452  2.845151     0.071831   -0.077898   -0.035411
      8.535452  8.535452  2.845151     0.071831   -0.077898   -0.035411
      2.845151  2.845151  8.535452     0.071831   -0.077898   -0.035411
      8.535452  2.845151  8.535452     0.071831   -0.077898   -0.035411
      2.845151  8.535452  8.535452     0.071831   -0.077898   -0.035411
      8.535452  8.535452  8.535452     0.071831   -0.077898   -0.035411
      2.845151  0.000000  0.000000     0.071831   -0.077898   -0.035411
      8.535452  0.000000  0.000000     0.071831   -0.077898   -0.035411
      2.845151  5.690301  0.000000     0.071831   -0.077898   -0.035411
      8.535452  5.690301  0.000000     0.071831   -0.077898   -0.035411
      2.845151  0.000000  5.690301     0.071831   -0.077898   -0.035411
      8.535452  0.000000  5.690301     0.071831   -0.077898   -0.035411
      2.845151  5.690301  5.690301     0.071831   -0.077898   -0.035411
      8.535452  5.690301  5.690301     0.071831   -0.077898   -0.035411
      0.000000  2.845151  0.000000     0.071831   -0.077898   -0.035411
      5.690301  2.845151  0.000000     0.071831   -0.077898   -0.035411
      0.000000  8.535452  0.000000     0.071831   -0.077898   -0.035411
      5.690301  8.535452  0.000000     0.071831   -0.077898   -0.035411
      0.000000  2.845151  5.690301     0.071831   -0.077898   -0.035411
      5.690301  2.845151  5.690301     0.071831   -0.077898   -0.035411
      0.000000  8.535452  5.690301     0.071831   -0.077898   -0.035411
      5.690301  8.535452  5.690301     0.071831   -0.077898   -0.035411
      0.000000  0.000000  2.845151     0.071831   -0.077898   -0.035411
      5.690301  0.000000  2.845151     0.071831   -0.077898   -0.035411
      0.000000  5.690301  2.845151     0.071831   -0.077898   -0.035411
      5.690301  5.690301  2.845151     0.071831   -0.077898   -0.035411
      0.000000  0.000000  8.535452     0.071831   -0.077898   -0.035411
      5.690301  0.000000  8.535452     0.071831   -0.077898   -0.035411
      0.000000  5.690301  8.535452     0.071831   -0.077898   -0.035411
      5.690301  5.690301  8.535452     0.071831   -0.077898   -0.035411

  75 f  =    4.414443 THz    27.736761 2PiTHz  147.249950 cm-1    18.256674 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.036521   -0.135480    0.040833
      5.690301  0.000000  0.000000     0.036521   -0.135480    0.040833
      0.000000  5.690301  0.000000    -0.036521    0.135480    0.040833
      5.690301  5.690301  0.000000     0.036521    0.135480    0.040833
      0.000000  0.000000  5.690301    -0.036521   -0.135480   -0.040833
      5.690301  0.000000  5.690301     0.036521   -0.135480   -0.040833
      0.000000  5.690301  5.690301    -0.036521    0.135480   -0.040833
      5.690301  5.690301  5.690301     0.036521    0.135480   -0.040833
      0.000000  2.845151  2.845151     0.036521    0.192298   -0.064465
      5.690301  2.845151  2.845151    -0.036521    0.192298   -0.064465
      0.000000  8.535452  2.845151     0.036521   -0.192298   -0.064465
      5.690301  8.535452  2.845151    -0.036521   -0.192298   -0.064465
      0.000000  2.845151  8.535452     0.036521    0.192298    0.064465
      5.690301  2.845151  8.535452    -0.036521    0.192298    0.064465
      0.000000  8.535452  8.535452     0.036521   -0.192298    0.064465
      5.690301  8.535452  8.535452    -0.036521   -0.192298    0.064465
      2.845151  0.000000  2.845151    -0.003114    0.135480    0.064465
      8.535452  0.000000  2.845151     0.003114    0.135480    0.064465
      2.845151  5.690301  2.845151    -0.003114   -0.135480    0.064465
      8.535452  5.690301  2.845151     0.003114   -0.135480    0.064465
      2.845151  0.000000  8.535452    -0.003114    0.135480   -0.064465
      8.535452  0.000000  8.535452     0.003114    0.135480   -0.064465
      2.845151  5.690301  8.535452    -0.003114   -0.135480   -0.064465
      8.535452  5.690301  8.535452     0.003114   -0.135480   -0.064465
      2.845151  2.845151  0.000000     0.003114   -0.192298   -0.040833
      8.535452  2.845151  0.000000    -0.003114   -0.192298   -0.040833
      2.845151  8.535452  0.000000     0.003114    0.192298   -0.040833
      8.535452  8.535452  0.000000    -0.003114    0.192298   -0.040833
      2.845151  2.845151  5.690301     0.003114   -0.192298    0.040833
      8.535452  2.845151  5.690301    -0.003114   -0.192298    0.040833
      2.845151  8.535452  5.690301     0.003114    0.192298    0.040833
      8.535452  8.535452  5.690301    -0.003114    0.192298    0.040833
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

  76 f  =    4.414443 THz    27.736761 2PiTHz  147.249950 cm-1    18.256674 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.215355    0.002218   -0.013009
      5.690301  0.000000  0.000000    -0.215355    0.002218   -0.013009
      0.000000  5.690301  0.000000     0.215355   -0.002218   -0.013009
      5.690301  5.690301  0.000000    -0.215355   -0.002218   -0.013009
      0.000000  0.000000  5.690301     0.215355    0.002218    0.013009
      5.690301  0.000000  5.690301    -0.215355    0.002218    0.013009
      0.000000  5.690301  5.690301     0.215355   -0.002218    0.013009
      5.690301  5.690301  5.690301    -0.215355   -0.002218    0.013009
      0.000000  2.845151  2.845151    -0.215355    0.014234   -0.096327
      5.690301  2.845151  2.845151     0.215355    0.014234   -0.096327
      0.000000  8.535452  2.845151    -0.215355   -0.014234   -0.096327
      5.690301  8.535452  2.845151     0.215355   -0.014234   -0.096327
      0.000000  2.845151  8.535452    -0.215355    0.014234    0.096327
      5.690301  2.845151  8.535452     0.215355    0.014234    0.096327
      0.000000  8.535452  8.535452    -0.215355   -0.014234    0.096327
      5.690301  8.535452  8.535452     0.215355   -0.014234    0.096327
      2.845151  0.000000  2.845151     0.080415   -0.002218    0.096327
      8.535452  0.000000  2.845151    -0.080415   -0.002218    0.096327
      2.845151  5.690301  2.845151     0.080415    0.002218    0.096327
      8.535452  5.690301  2.845151    -0.080415    0.002218    0.096327
      2.845151  0.000000  8.535452     0.080415   -0.002218   -0.096327
      8.535452  0.000000  8.535452    -0.080415   -0.002218   -0.096327
      2.845151  5.690301  8.535452     0.080415    0.002218   -0.096327
      8.535452  5.690301  8.535452    -0.080415    0.002218   -0.096327
      2.845151  2.845151  0.000000    -0.080415   -0.014234    0.013009
      8.535452  2.845151  0.000000     0.080415   -0.014234    0.013009
      2.845151  8.535452  0.000000    -0.080415    0.014234    0.013009
      8.535452  8.535452  0.000000     0.080415    0.014234    0.013009
      2.845151  2.845151  5.690301    -0.080415   -0.014234   -0.013009
      8.535452  2.845151  5.690301     0.080415   -0.014234   -0.013009
      2.845151  8.535452  5.690301    -0.080415    0.014234   -0.013009
      8.535452  8.535452  5.690301     0.080415    0.014234   -0.013009
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

  77 f  =    4.414443 THz    27.736761 2PiTHz  147.249950 cm-1    18.256674 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.018961    0.096756   -0.033376
      5.690301  0.000000  0.000000     0.018961    0.096756   -0.033376
      0.000000  5.690301  0.000000    -0.018961   -0.096756   -0.033376
      5.690301  5.690301  0.000000     0.018961   -0.096756   -0.033376
      0.000000  0.000000  5.690301    -0.018961    0.096756    0.033376
      5.690301  0.000000  5.690301     0.018961    0.096756    0.033376
      0.000000  5.690301  5.690301    -0.018961   -0.096756    0.033376
      5.690301  5.690301  5.690301     0.018961   -0.096756    0.033376
      0.000000  2.845151  2.845151     0.018961    0.112781    0.114934
      5.690301  2.845151  2.845151    -0.018961    0.112781    0.114934
      0.000000  8.535452  2.845151     0.018961   -0.112781    0.114934
      5.690301  8.535452  2.845151    -0.018961   -0.112781    0.114934
      0.000000  2.845151  8.535452     0.018961    0.112781   -0.114934
      5.690301  2.845151  8.535452    -0.018961    0.112781   -0.114934
      0.000000  8.535452  8.535452     0.018961   -0.112781   -0.114934
      5.690301  8.535452  8.535452    -0.018961   -0.112781   -0.114934
      2.845151  0.000000  2.845151     0.160422   -0.096756   -0.114934
      8.535452  0.000000  2.845151    -0.160422   -0.096756   -0.114934
      2.845151  5.690301  2.845151     0.160422    0.096756   -0.114934
      8.535452  5.690301  2.845151    -0.160422    0.096756   -0.114934
      2.845151  0.000000  8.535452     0.160422   -0.096756    0.114934
      8.535452  0.000000  8.535452    -0.160422   -0.096756    0.114934
      2.845151  5.690301  8.535452     0.160422    0.096756    0.114934
      8.535452  5.690301  8.535452    -0.160422    0.096756    0.114934
      2.845151  2.845151  0.000000    -0.160422   -0.112781    0.033376
      8.535452  2.845151  0.000000     0.160422   -0.112781    0.033376
      2.845151  8.535452  0.000000    -0.160422    0.112781    0.033376
      8.535452  8.535452  0.000000     0.160422    0.112781    0.033376
      2.845151  2.845151  5.690301    -0.160422   -0.112781   -0.033376
      8.535452  2.845151  5.690301     0.160422   -0.112781   -0.033376
      2.845151  8.535452  5.690301    -0.160422    0.112781   -0.033376
      8.535452  8.535452  5.690301     0.160422    0.112781   -0.033376
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

  78 f  =    4.414443 THz    27.736761 2PiTHz  147.249950 cm-1    18.256674 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.005917    0.083696    0.235058
      5.690301  0.000000  0.000000    -0.005917    0.083696    0.235058
      0.000000  5.690301  0.000000     0.005917   -0.083696    0.235058
      5.690301  5.690301  0.000000    -0.005917   -0.083696    0.235058
      0.000000  0.000000  5.690301     0.005917    0.083696   -0.235058
      5.690301  0.000000  5.690301    -0.005917    0.083696   -0.235058
      0.000000  5.690301  5.690301     0.005917   -0.083696   -0.235058
      5.690301  5.690301  5.690301    -0.005917   -0.083696   -0.235058
      0.000000  2.845151  2.845151    -0.005917    0.006049   -0.012502
      5.690301  2.845151  2.845151     0.005917    0.006049   -0.012502
      0.000000  8.535452  2.845151    -0.005917   -0.006049   -0.012502
      5.690301  8.535452  2.845151     0.005917   -0.006049   -0.012502
      0.000000  2.845151  8.535452    -0.005917    0.006049    0.012502
      5.690301  2.845151  8.535452     0.005917    0.006049    0.012502
      0.000000  8.535452  8.535452    -0.005917   -0.006049    0.012502
      5.690301  8.535452  8.535452     0.005917   -0.006049    0.012502
      2.845151  0.000000  2.845151     0.003828   -0.083696    0.012502
      8.535452  0.000000  2.845151    -0.003828   -0.083696    0.012502
      2.845151  5.690301  2.845151     0.003828    0.083696    0.012502
      8.535452  5.690301  2.845151    -0.003828    0.083696    0.012502
      2.845151  0.000000  8.535452     0.003828   -0.083696   -0.012502
      8.535452  0.000000  8.535452    -0.003828   -0.083696   -0.012502
      2.845151  5.690301  8.535452     0.003828    0.083696   -0.012502
      8.535452  5.690301  8.535452    -0.003828    0.083696   -0.012502
      2.845151  2.845151  0.000000    -0.003828   -0.006049   -0.235058
      8.535452  2.845151  0.000000     0.003828   -0.006049   -0.235058
      2.845151  8.535452  0.000000    -0.003828    0.006049   -0.235058
      8.535452  8.535452  0.000000     0.003828    0.006049   -0.235058
      2.845151  2.845151  5.690301    -0.003828   -0.006049    0.235058
      8.535452  2.845151  5.690301     0.003828   -0.006049    0.235058
      2.845151  8.535452  5.690301    -0.003828    0.006049    0.235058
      8.535452  8.535452  5.690301     0.003828    0.006049    0.235058
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

  79 f  =    4.414443 THz    27.736761 2PiTHz  147.249950 cm-1    18.256674 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.013810   -0.165972    0.064524
      5.690301  0.000000  0.000000    -0.013810   -0.165972    0.064524
      0.000000  5.690301  0.000000     0.013810    0.165972    0.064524
      5.690301  5.690301  0.000000    -0.013810    0.165972    0.064524
      0.000000  0.000000  5.690301     0.013810   -0.165972   -0.064524
      5.690301  0.000000  5.690301    -0.013810   -0.165972   -0.064524
      0.000000  5.690301  5.690301     0.013810    0.165972   -0.064524
      5.690301  5.690301  5.690301    -0.013810    0.165972   -0.064524
      0.000000  2.845151  2.845151    -0.013810   -0.093576    0.097346
      5.690301  2.845151  2.845151     0.013810   -0.093576    0.097346
      0.000000  8.535452  2.845151    -0.013810    0.093576    0.097346
      5.690301  8.535452  2.845151     0.013810    0.093576    0.097346
      0.000000  2.845151  8.535452    -0.013810   -0.093576   -0.097346
      5.690301  2.845151  8.535452     0.013810   -0.093576   -0.097346
      0.000000  8.535452  8.535452    -0.013810    0.093576   -0.097346
      5.690301  8.535452  8.535452     0.013810    0.093576   -0.097346
      2.845151  0.000000  2.845151     0.111204    0.165972   -0.097346
      8.535452  0.000000  2.845151    -0.111204    0.165972   -0.097346
      2.845151  5.690301  2.845151     0.111204   -0.165972   -0.097346
      8.535452  5.690301  2.845151    -0.111204   -0.165972   -0.097346
      2.845151  0.000000  8.535452     0.111204    0.165972    0.097346
      8.535452  0.000000  8.535452    -0.111204    0.165972    0.097346
      2.845151  5.690301  8.535452     0.111204   -0.165972    0.097346
      8.535452  5.690301  8.535452    -0.111204   -0.165972    0.097346
      2.845151  2.845151  0.000000    -0.111204    0.093576   -0.064524
      8.535452  2.845151  0.000000     0.111204    0.093576   -0.064524
      2.845151  8.535452  0.000000    -0.111204   -0.093576   -0.064524
      8.535452  8.535452  0.000000     0.111204   -0.093576   -0.064524
      2.845151  2.845151  5.690301    -0.111204    0.093576    0.064524
      8.535452  2.845151  5.690301     0.111204    0.093576    0.064524
      2.845151  8.535452  5.690301    -0.111204   -0.093576    0.064524
      8.535452  8.535452  5.690301     0.111204   -0.093576    0.064524
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

  80 f  =    4.414443 THz    27.736761 2PiTHz  147.249950 cm-1    18.256674 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.119178    0.015053   -0.011564
      5.690301  0.000000  0.000000     0.119178    0.015053   -0.011564
      0.000000  5.690301  0.000000    -0.119178   -0.015053   -0.011564
      5.690301  5.690301  0.000000     0.119178   -0.015053   -0.011564
      0.000000  0.000000  5.690301    -0.119178    0.015053    0.011564
      5.690301  0.000000  5.690301     0.119178    0.015053    0.011564
      0.000000  5.690301  5.690301    -0.119178   -0.015053    0.011564
      5.690301  5.690301  5.690301     0.119178   -0.015053    0.011564
      0.000000  2.845151  2.845151     0.119178   -0.061692   -0.161935
      5.690301  2.845151  2.845151    -0.119178   -0.061692   -0.161935
      0.000000  8.535452  2.845151     0.119178    0.061692   -0.161935
      5.690301  8.535452  2.845151    -0.119178    0.061692   -0.161935
      0.000000  2.845151  8.535452     0.119178   -0.061692    0.161935
      5.690301  2.845151  8.535452    -0.119178   -0.061692    0.161935
      0.000000  8.535452  8.535452     0.119178    0.061692    0.161935
      5.690301  8.535452  8.535452    -0.119178    0.061692    0.161935
      2.845151  0.000000  2.845151     0.133819   -0.015053    0.161935
      8.535452  0.000000  2.845151    -0.133819   -0.015053    0.161935
      2.845151  5.690301  2.845151     0.133819    0.015053    0.161935
      8.535452  5.690301  2.845151    -0.133819    0.015053    0.161935
      2.845151  0.000000  8.535452     0.133819   -0.015053   -0.161935
      8.535452  0.000000  8.535452    -0.133819   -0.015053   -0.161935
      2.845151  5.690301  8.535452     0.133819    0.015053   -0.161935
      8.535452  5.690301  8.535452    -0.133819    0.015053   -0.161935
      2.845151  2.845151  0.000000    -0.133819    0.061692    0.011564
      8.535452  2.845151  0.000000     0.133819    0.061692    0.011564
      2.845151  8.535452  0.000000    -0.133819   -0.061692    0.011564
      8.535452  8.535452  0.000000     0.133819   -0.061692    0.011564
      2.845151  2.845151  5.690301    -0.133819    0.061692   -0.011564
      8.535452  2.845151  5.690301     0.133819    0.061692   -0.011564
      2.845151  8.535452  5.690301    -0.133819   -0.061692   -0.011564
      8.535452  8.535452  5.690301     0.133819   -0.061692   -0.011564
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

  81 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.117306   -0.068356    0.059677
      5.690301  0.000000  0.000000    -0.117306    0.040940   -0.044237
      0.000000  5.690301  0.000000    -0.004627    0.068356    0.044237
      5.690301  5.690301  0.000000     0.004627   -0.040940   -0.059677
      0.000000  0.000000  5.690301     0.004627   -0.040940   -0.059677
      5.690301  0.000000  5.690301    -0.004627    0.068356    0.044237
      0.000000  5.690301  5.690301    -0.117306    0.040940   -0.044237
      5.690301  5.690301  5.690301     0.117306   -0.068356    0.059677
      0.000000  2.845151  2.845151    -0.002792    0.027529   -0.004360
      5.690301  2.845151  2.845151     0.002792   -0.042968    0.031775
      0.000000  8.535452  2.845151     0.014472   -0.027529   -0.031775
      5.690301  8.535452  2.845151    -0.014472    0.042968    0.004360
      0.000000  2.845151  8.535452    -0.014472    0.042968    0.004360
      5.690301  2.845151  8.535452     0.014472   -0.027529   -0.031775
      0.000000  8.535452  8.535452     0.002792   -0.042968    0.031775
      5.690301  8.535452  8.535452    -0.002792    0.027529   -0.004360
      2.845151  0.000000  2.845151    -0.016708   -0.024421   -0.038292
      8.535452  0.000000  2.845151     0.016708   -0.007157    0.074387
      2.845151  5.690301  2.845151    -0.087205    0.024421   -0.074387
      8.535452  5.690301  2.845151     0.087205    0.007157    0.038292
      2.845151  0.000000  8.535452     0.087205    0.007157    0.038292
      8.535452  0.000000  8.535452    -0.087205    0.024421   -0.074387
      2.845151  5.690301  8.535452     0.016708   -0.007157    0.074387
      8.535452  5.690301  8.535452    -0.016708   -0.024421   -0.038292
      2.845151  2.845151  0.000000     0.036580   -0.042919   -0.009949
      8.535452  2.845151  0.000000    -0.036580    0.079014   -0.021628
      2.845151  8.535452  0.000000    -0.072716    0.042919    0.021628
      8.535452  8.535452  0.000000     0.072716   -0.079014    0.009949
      2.845151  2.845151  5.690301     0.072716   -0.079014    0.009949
      8.535452  2.845151  5.690301    -0.072716    0.042919    0.021628
      2.845151  8.535452  5.690301    -0.036580    0.079014   -0.021628
      8.535452  8.535452  5.690301     0.036580   -0.042919   -0.009949
      2.845151  2.845151  2.845151     0.004773   -0.121817   -0.075609
      8.535452  2.845151  2.845151    -0.004773    0.094434    0.124231
      2.845151  8.535452  2.845151    -0.189066    0.121817   -0.124231
      8.535452  8.535452  2.845151     0.189066   -0.094434    0.075609
      2.845151  2.845151  8.535452     0.189066   -0.094434    0.075609
      8.535452  2.845151  8.535452    -0.189066    0.121817   -0.124231
      2.845151  8.535452  8.535452    -0.004773    0.094434    0.124231
      8.535452  8.535452  8.535452     0.004773   -0.121817   -0.075609
      2.845151  0.000000  0.000000     0.030470   -0.039620    0.024048
      8.535452  0.000000  0.000000    -0.030470   -0.009002    0.003334
      2.845151  5.690301  0.000000    -0.094557    0.039620   -0.003334
      8.535452  5.690301  0.000000     0.094557    0.009002   -0.024048
      2.845151  0.000000  5.690301     0.094557    0.009002   -0.024048
      8.535452  0.000000  5.690301    -0.094557    0.039620   -0.003334
      2.845151  5.690301  5.690301    -0.030470   -0.009002    0.003334
      8.535452  5.690301  5.690301     0.030470   -0.039620    0.024048
      0.000000  2.845151  0.000000     0.084611    0.094522    0.064145
      5.690301  2.845151  0.000000    -0.084611   -0.030506   -0.120148
      0.000000  8.535452  0.000000     0.115229   -0.094522    0.120148
      5.690301  8.535452  0.000000    -0.115229    0.030506   -0.064145
      0.000000  2.845151  5.690301    -0.115229    0.030506   -0.064145
      5.690301  2.845151  5.690301     0.115229   -0.094522    0.120148
      0.000000  8.535452  5.690301    -0.084611   -0.030506   -0.120148
      5.690301  8.535452  5.690301     0.084611    0.094522    0.064145
      0.000000  0.000000  2.845151     0.118482   -0.124921   -0.000036
      5.690301  0.000000  2.845151    -0.118482    0.068918    0.064051
      0.000000  5.690301  2.845151    -0.097769    0.124921   -0.064051
      5.690301  5.690301  2.845151     0.097769   -0.068918    0.000036
      0.000000  0.000000  8.535452     0.097769   -0.068918    0.000036
      5.690301  0.000000  8.535452    -0.097769    0.124921   -0.064051
      0.000000  5.690301  8.535452    -0.118482    0.068918    0.064051
      5.690301  5.690301  8.535452     0.118482   -0.124921   -0.000036

  82 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.035201   -0.022275    0.033118
      5.690301  0.000000  0.000000    -0.035201   -0.083050    0.107477
      0.000000  5.690301  0.000000     0.078036    0.022275   -0.107477
      5.690301  5.690301  0.000000    -0.078036    0.083050   -0.033118
      0.000000  0.000000  5.690301    -0.078036    0.083050   -0.033118
      5.690301  0.000000  5.690301     0.078036    0.022275   -0.107477
      0.000000  5.690301  5.690301    -0.035201   -0.083050    0.107477
      5.690301  5.690301  5.690301     0.035201   -0.022275    0.033118
      0.000000  2.845151  2.845151     0.035327   -0.078487    0.033090
      5.690301  2.845151  2.845151    -0.035327   -0.062108    0.072236
      0.000000  8.535452  2.845151     0.013934    0.078487   -0.072236
      5.690301  8.535452  2.845151    -0.013934    0.062108   -0.033090
      0.000000  2.845151  8.535452    -0.013934    0.062108   -0.033090
      5.690301  2.845151  8.535452     0.013934    0.078487   -0.072236
      0.000000  8.535452  8.535452    -0.035327   -0.062108    0.072236
      5.690301  8.535452  8.535452     0.035327   -0.078487    0.033090
      2.845151  0.000000  2.845151     0.028990    0.006123   -0.042489
      8.535452  0.000000  2.845151    -0.028990   -0.015271    0.070748
      2.845151  5.690301  2.845151     0.045370   -0.006123   -0.070748
      8.535452  5.690301  2.845151    -0.045370    0.015271    0.042489
      2.845151  0.000000  8.535452    -0.045370    0.015271    0.042489
      8.535452  0.000000  8.535452     0.045370   -0.006123   -0.070748
      2.845151  5.690301  8.535452    -0.028990   -0.015271    0.070748
      8.535452  5.690301  8.535452     0.028990    0.006123   -0.042489
      2.845151  2.845151  0.000000    -0.049961    0.035547    0.020056
      8.535452  2.845151  0.000000     0.049961   -0.007288   -0.029204
      2.845151  8.535452  0.000000     0.010815   -0.035547    0.029204
      8.535452  8.535452  0.000000    -0.010815    0.007288   -0.020056
      2.845151  2.845151  5.690301    -0.010815    0.007288   -0.020056
      8.535452  2.845151  5.690301     0.010815   -0.035547    0.029204
      2.845151  8.535452  5.690301     0.049961   -0.007288   -0.029204
      8.535452  8.535452  5.690301    -0.049961    0.035547    0.020056
      2.845151  2.845151  2.845151     0.012046   -0.086690   -0.007016
      8.535452  2.845151  2.845151    -0.012046   -0.162659    0.193812
      2.845151  8.535452  2.845151     0.119833    0.086690   -0.193812
      8.535452  8.535452  2.845151    -0.119833    0.162659    0.007016
      2.845151  2.845151  8.535452    -0.119833    0.162659    0.007016
      8.535452  2.845151  8.535452     0.119833    0.086690   -0.193812
      2.845151  8.535452  8.535452    -0.012046   -0.162659    0.193812
      8.535452  8.535452  8.535452     0.012046   -0.086690   -0.007016
      2.845151  0.000000  0.000000    -0.049238   -0.074428    0.168357
      8.535452  0.000000  0.000000     0.049238   -0.112369    0.080992
      2.845151  5.690301  0.000000    -0.020189    0.074428   -0.080992
      8.535452  5.690301  0.000000     0.020189    0.112369   -0.168357
      2.845151  0.000000  5.690301     0.020189    0.112369   -0.168357
      8.535452  0.000000  5.690301    -0.020189    0.074428   -0.080992
      2.845151  5.690301  5.690301     0.049238   -0.112369    0.080992
      8.535452  5.690301  5.690301    -0.049238   -0.074428    0.168357
      0.000000  2.845151  0.000000     0.119385    0.010535   -0.074052
      5.690301  2.845151  0.000000    -0.119385    0.039584    0.057827
      0.000000  8.535452  0.000000     0.081443   -0.010535   -0.057827
      5.690301  8.535452  0.000000    -0.081443   -0.039584    0.074052
      0.000000  2.845151  5.690301    -0.081443   -0.039584    0.074052
      5.690301  2.845151  5.690301     0.081443   -0.010535   -0.057827
      0.000000  8.535452  5.690301    -0.119385    0.039584    0.057827
      5.690301  8.535452  5.690301     0.119385    0.010535   -0.074052
      0.000000  0.000000  2.845151     0.005698    0.045781   -0.009654
      5.690301  0.000000  2.845151    -0.005698   -0.062005    0.059773
      0.000000  5.690301  2.845151     0.081667   -0.045781   -0.059773
      5.690301  5.690301  2.845151    -0.081667    0.062005    0.009654
      0.000000  0.000000  8.535452    -0.081667    0.062005    0.009654
      5.690301  0.000000  8.535452     0.081667   -0.045781   -0.059773
      0.000000  5.690301  8.535452    -0.005698   -0.062005    0.059773
      5.690301  5.690301  8.535452     0.005698    0.045781   -0.009654

  83 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.035963   -0.007907   -0.025031
      5.690301  0.000000  0.000000     0.035963   -0.036748   -0.037543
      0.000000  5.690301  0.000000    -0.022511    0.007907    0.037543
      5.690301  5.690301  0.000000     0.022511    0.036748    0.025031
      0.000000  0.000000  5.690301     0.022511    0.036748    0.025031
      5.690301  0.000000  5.690301    -0.022511    0.007907    0.037543
      0.000000  5.690301  5.690301     0.035963   -0.036748   -0.037543
      5.690301  5.690301  5.690301    -0.035963   -0.007907   -0.025031
      0.000000  2.845151  2.845151     0.103203    0.075860    0.021794
      5.690301  2.845151  2.845151    -0.103203   -0.013287    0.022861
      0.000000  8.535452  2.845151     0.099868   -0.075860   -0.022861
      5.690301  8.535452  2.845151    -0.099868    0.013287   -0.021794
      0.000000  2.845151  8.535452    -0.099868    0.013287   -0.021794
      5.690301  2.845151  8.535452     0.099868   -0.075860   -0.022861
      0.000000  8.535452  8.535452    -0.103203   -0.013287    0.022861
      5.690301  8.535452  8.535452     0.103203    0.075860    0.021794
      2.845151  0.000000  2.845151     0.038318   -0.006924    0.038147
      8.535452  0.000000  2.845151    -0.038318   -0.010258   -0.020327
      2.845151  5.690301  2.845151    -0.050830    0.006924    0.020327
      8.535452  5.690301  2.845151     0.050830    0.010258   -0.038147
      2.845151  0.000000  8.535452     0.050830    0.010258   -0.038147
      8.535452  0.000000  8.535452    -0.050830    0.006924    0.020327
      2.845151  5.690301  8.535452    -0.038318   -0.010258   -0.020327
      8.535452  5.690301  8.535452     0.038318   -0.006924    0.038147
      2.845151  2.845151  0.000000    -0.014955    0.015636    0.092944
      8.535452  2.845151  0.000000     0.014955    0.002184   -0.110126
      2.845151  8.535452  0.000000     0.013887   -0.015636    0.110126
      8.535452  8.535452  0.000000    -0.013887   -0.002184   -0.092944
      2.845151  2.845151  5.690301    -0.013887   -0.002184   -0.092944
      8.535452  2.845151  5.690301     0.013887   -0.015636    0.110126
      2.845151  8.535452  5.690301     0.014955    0.002184   -0.110126
      8.535452  8.535452  5.690301    -0.014955    0.015636    0.092944
      2.845151  2.845151  2.845151    -0.036671    0.067416    0.091451
      8.535452  2.845151  2.845151     0.036671    0.043559   -0.012255
      2.845151  8.535452  2.845151     0.014481   -0.067416    0.012255
      8.535452  8.535452  2.845151    -0.014481   -0.043559   -0.091451
      2.845151  2.845151  8.535452    -0.014481   -0.043559   -0.091451
      8.535452  2.845151  8.535452     0.014481   -0.067416    0.012255
      2.845151  8.535452  8.535452     0.036671    0.043559   -0.012255
      8.535452  8.535452  8.535452    -0.036671    0.067416    0.091451
      2.845151  0.000000  0.000000     0.078106   -0.036641    0.124587
      8.535452  0.000000  0.000000    -0.078106   -0.042555   -0.235563
      2.845151  5.690301  0.000000    -0.079999    0.036641    0.235563
      8.535452  5.690301  0.000000     0.079999    0.042555   -0.124587
      2.845151  0.000000  5.690301     0.079999    0.042555   -0.124587
      8.535452  0.000000  5.690301    -0.079999    0.036641    0.235563
      2.845151  5.690301  5.690301    -0.078106   -0.042555   -0.235563
      8.535452  5.690301  5.690301     0.078106   -0.036641    0.124587
      0.000000  2.845151  0.000000    -0.048896    0.094855   -0.004141
      5.690301  2.845151  0.000000     0.048896   -0.063250   -0.026331
      0.000000  8.535452  0.000000    -0.054810   -0.094855    0.026331
      5.690301  8.535452  0.000000     0.054810    0.063250    0.004141
      0.000000  2.845151  5.690301     0.054810    0.063250    0.004141
      5.690301  2.845151  5.690301    -0.054810   -0.094855    0.026331
      0.000000  8.535452  5.690301     0.048896   -0.063250   -0.026331
      5.690301  8.535452  5.690301    -0.048896    0.094855   -0.004141
      0.000000  0.000000  2.845151     0.168147    0.010339    0.014856
      5.690301  0.000000  2.845151    -0.168147   -0.040812    0.016749
      0.000000  5.690301  2.845151     0.192004   -0.010339   -0.016749
      5.690301  5.690301  2.845151    -0.192004    0.040812   -0.014856
      0.000000  0.000000  8.535452    -0.192004    0.040812   -0.014856
      5.690301  0.000000  8.535452     0.192004   -0.010339   -0.016749
      0.000000  5.690301  8.535452    -0.168147   -0.040812    0.016749
      5.690301  5.690301  8.535452     0.168147    0.010339    0.014856

  84 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.032423    0.056950   -0.010460
      5.690301  0.000000  0.000000    -0.032423    0.038404   -0.033922
      0.000000  5.690301  0.000000     0.026492   -0.056950    0.033922
      5.690301  5.690301  0.000000    -0.026492   -0.038404    0.010460
      0.000000  0.000000  5.690301    -0.026492   -0.038404    0.010460
      5.690301  0.000000  5.690301     0.026492   -0.056950    0.033922
      0.000000  5.690301  5.690301    -0.032423    0.038404   -0.033922
      5.690301  5.690301  5.690301     0.032423    0.056950   -0.010460
      0.000000  2.845151  2.845151     0.113577   -0.016855   -0.069166
      5.690301  2.845151  2.845151    -0.113577    0.061237   -0.026187
      0.000000  8.535452  2.845151    -0.067031    0.016855    0.026187
      5.690301  8.535452  2.845151     0.067031   -0.061237    0.069166
      0.000000  2.845151  8.535452     0.067031   -0.061237    0.069166
      5.690301  2.845151  8.535452    -0.067031    0.016855    0.026187
      0.000000  8.535452  8.535452    -0.113577    0.061237   -0.026187
      5.690301  8.535452  8.535452     0.113577   -0.016855   -0.069166
      2.845151  0.000000  2.845151    -0.050777    0.082516   -0.007826
      8.535452  0.000000  2.845151     0.050777   -0.098092    0.051088
      2.845151  5.690301  2.845151     0.027315   -0.082516   -0.051088
      8.535452  5.690301  2.845151    -0.027315    0.098092    0.007826
      2.845151  0.000000  8.535452    -0.027315    0.098092    0.007826
      8.535452  0.000000  8.535452     0.027315   -0.082516   -0.051088
      2.845151  5.690301  8.535452     0.050777   -0.098092    0.051088
      8.535452  5.690301  8.535452    -0.050777    0.082516   -0.007826
      2.845151  2.845151  0.000000    -0.030762    0.018665    0.015485
      8.535452  2.845151  0.000000     0.030762    0.024596   -0.031061
      2.845151  8.535452  0.000000    -0.012216   -0.018665    0.031061
      8.535452  8.535452  0.000000     0.012216   -0.024596   -0.015485
      2.845151  2.845151  5.690301     0.012216   -0.024596   -0.015485
      8.535452  2.845151  5.690301    -0.012216   -0.018665    0.031061
      2.845151  8.535452  5.690301     0.030762    0.024596   -0.031061
      8.535452  8.535452  5.690301    -0.030762    0.018665    0.015485
      2.845151  2.845151  2.845151    -0.037251    0.034097   -0.136799
      8.535452  2.845151  2.845151     0.037251    0.044616   -0.032313
      2.845151  8.535452  2.845151    -0.004359   -0.034097    0.032313
      8.535452  8.535452  2.845151     0.004359   -0.044616    0.136799
      2.845151  2.845151  8.535452     0.004359   -0.044616    0.136799
      8.535452  2.845151  8.535452    -0.004359   -0.034097    0.032313
      2.845151  8.535452  8.535452     0.037251    0.044616   -0.032313
      8.535452  8.535452  8.535452    -0.037251    0.034097   -0.136799
      2.845151  0.000000  0.000000    -0.107361    0.244712    0.001919
      8.535452  0.000000  0.000000     0.107361   -0.075601   -0.080632
      2.845151  5.690301  0.000000     0.031138   -0.244712    0.080632
      8.535452  5.690301  0.000000    -0.031138    0.075601   -0.001919
      2.845151  0.000000  5.690301    -0.031138    0.075601   -0.001919
      8.535452  0.000000  5.690301     0.031138   -0.244712    0.080632
      2.845151  5.690301  5.690301     0.107361   -0.075601   -0.080632
      8.535452  5.690301  5.690301    -0.107361    0.244712    0.001919
      0.000000  2.845151  0.000000     0.212399   -0.030886    0.006993
      5.690301  2.845151  0.000000    -0.212399    0.107612   -0.034617
      0.000000  8.535452  0.000000    -0.107913    0.030886    0.034617
      5.690301  8.535452  0.000000     0.107913   -0.107612   -0.006993
      0.000000  2.845151  5.690301     0.107913   -0.107612   -0.006993
      5.690301  2.845151  5.690301    -0.107913    0.030886    0.034617
      0.000000  8.535452  5.690301    -0.212399    0.107612   -0.034617
      5.690301  8.535452  5.690301     0.212399   -0.030886    0.006993
      0.000000  0.000000  2.845151     0.046535    0.002634    0.000251
      5.690301  0.000000  2.845151    -0.046535   -0.030258    0.076474
      0.000000  5.690301  2.845151     0.036016   -0.002634   -0.076474
      5.690301  5.690301  2.845151    -0.036016    0.030258   -0.000251
      0.000000  0.000000  8.535452    -0.036016    0.030258   -0.000251
      5.690301  0.000000  8.535452     0.036016   -0.002634   -0.076474
      0.000000  5.690301  8.535452    -0.046535   -0.030258    0.076474
      5.690301  5.690301  8.535452     0.046535    0.002634    0.000251

  85 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.031602    0.073066    0.018874
      5.690301  0.000000  0.000000    -0.031602   -0.004740    0.073439
      0.000000  5.690301  0.000000    -0.089503   -0.073066   -0.073439
      5.690301  5.690301  0.000000     0.089503    0.004740   -0.018874
      0.000000  0.000000  5.690301     0.089503    0.004740   -0.018874
      5.690301  0.000000  5.690301    -0.089503   -0.073066   -0.073439
      0.000000  5.690301  5.690301    -0.031602   -0.004740    0.073439
      5.690301  5.690301  5.690301     0.031602    0.073066    0.018874
      0.000000  2.845151  2.845151     0.019277    0.012563   -0.024909
      5.690301  2.845151  2.845151    -0.019277   -0.104876   -0.043417
      0.000000  8.535452  2.845151    -0.045337   -0.012563    0.043417
      5.690301  8.535452  2.845151     0.045337    0.104876    0.024909
      0.000000  2.845151  8.535452     0.045337    0.104876    0.024909
      5.690301  2.845151  8.535452    -0.045337   -0.012563    0.043417
      0.000000  8.535452  8.535452    -0.019277   -0.104876   -0.043417
      5.690301  8.535452  8.535452     0.019277    0.012563   -0.024909
      2.845151  0.000000  2.845151     0.086002    0.018737    0.019694
      8.535452  0.000000  2.845151    -0.086002   -0.045877   -0.038206
      2.845151  5.690301  2.845151    -0.031438   -0.018737    0.038206
      8.535452  5.690301  2.845151     0.031438    0.045877   -0.019694
      2.845151  0.000000  8.535452     0.031438    0.045877   -0.019694
      8.535452  0.000000  8.535452    -0.031438   -0.018737    0.038206
      2.845151  5.690301  8.535452    -0.086002   -0.045877   -0.038206
      8.535452  5.690301  8.535452     0.086002    0.018737    0.019694
      2.845151  2.845151  0.000000    -0.029649   -0.069809   -0.026600
      8.535452  2.845151  0.000000     0.029649    0.051296   -0.000540
      2.845151  8.535452  0.000000     0.048157    0.069809    0.000540
      8.535452  8.535452  0.000000    -0.048157   -0.051296    0.026600
      2.845151  2.845151  5.690301    -0.048157   -0.051296    0.026600
      8.535452  2.845151  5.690301     0.048157    0.069809    0.000540
      2.845151  8.535452  5.690301     0.029649    0.051296   -0.000540
      8.535452  8.535452  5.690301    -0.029649   -0.069809   -0.026600
      2.845151  2.845151  2.845151    -0.020609   -0.189251   -0.009245
      8.535452  2.845151  2.845151     0.020609    0.025531   -0.111932
      2.845151  8.535452  2.845151     0.117381    0.189251    0.111932
      8.535452  8.535452  2.845151    -0.117381   -0.025531    0.009245
      2.845151  2.845151  8.535452    -0.117381   -0.025531    0.009245
      8.535452  2.845151  8.535452     0.117381    0.189251    0.111932
      2.845151  8.535452  8.535452     0.020609    0.025531   -0.111932
      8.535452  8.535452  8.535452    -0.020609   -0.189251   -0.009245
      2.845151  0.000000  0.000000     0.120553    0.117886    0.058751
      8.535452  0.000000  0.000000    -0.120553    0.003292    0.104969
      2.845151  5.690301  0.000000    -0.087729   -0.117886   -0.104969
      8.535452  5.690301  0.000000     0.087729   -0.003292   -0.058751
      2.845151  0.000000  5.690301     0.087729   -0.003292   -0.058751
      8.535452  0.000000  5.690301    -0.087729   -0.117886   -0.104969
      2.845151  5.690301  5.690301    -0.120553    0.003292    0.104969
      8.535452  5.690301  5.690301     0.120553    0.117886    0.058751
      0.000000  2.845151  0.000000     0.005953    0.087725   -0.072452
      5.690301  2.845151  0.000000    -0.005953   -0.120557    0.024319
      0.000000  8.535452  0.000000    -0.108641   -0.087725   -0.024319
      5.690301  8.535452  0.000000     0.108641    0.120557    0.072452
      0.000000  2.845151  5.690301     0.108641    0.120557    0.072452
      5.690301  2.845151  5.690301    -0.108641   -0.087725   -0.024319
      0.000000  8.535452  5.690301    -0.005953   -0.120557    0.024319
      5.690301  8.535452  5.690301     0.005953    0.087725   -0.072452
      0.000000  0.000000  2.845151     0.084282    0.044929   -0.000004
      5.690301  0.000000  2.845151    -0.084282   -0.093062   -0.032829
      0.000000  5.690301  2.845151    -0.130501   -0.044929    0.032829
      5.690301  5.690301  2.845151     0.130501    0.093062    0.000004
      0.000000  0.000000  8.535452     0.130501    0.093062    0.000004
      5.690301  0.000000  8.535452    -0.130501   -0.044929    0.032829
      0.000000  5.690301  8.535452    -0.084282   -0.093062   -0.032829
      5.690301  5.690301  8.535452     0.084282    0.044929   -0.000004

  86 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.043040   -0.031833   -0.047400
      5.690301  0.000000  0.000000     0.043040    0.025359    0.032906
      0.000000  5.690301  0.000000    -0.023807    0.031833   -0.032906
      5.690301  5.690301  0.000000     0.023807   -0.025359    0.047400
      0.000000  0.000000  5.690301     0.023807   -0.025359    0.047400
      5.690301  0.000000  5.690301    -0.023807    0.031833   -0.032906
      0.000000  5.690301  5.690301     0.043040    0.025359    0.032906
      5.690301  5.690301  5.690301    -0.043040   -0.031833   -0.047400
      0.000000  2.845151  2.845151    -0.025845    0.013459   -0.025687
      5.690301  2.845151  2.845151     0.025845    0.001035    0.032160
      0.000000  8.535452  2.845151    -0.016697   -0.013459   -0.032160
      5.690301  8.535452  2.845151     0.016697   -0.001035    0.025687
      0.000000  2.845151  8.535452     0.016697   -0.001035    0.025687
      5.690301  2.845151  8.535452    -0.016697   -0.013459   -0.032160
      0.000000  8.535452  8.535452     0.025845    0.001035    0.032160
      5.690301  8.535452  8.535452    -0.025845    0.013459   -0.025687
      2.845151  0.000000  2.845151     0.046366   -0.053232    0.120934
      8.535452  0.000000  2.845151    -0.046366   -0.044084    0.054088
      2.845151  5.690301  2.845151     0.033941    0.053232   -0.054088
      8.535452  5.690301  2.845151    -0.033941    0.044084   -0.120934
      2.845151  0.000000  8.535452    -0.033941    0.044084   -0.120934
      8.535452  0.000000  8.535452     0.033941    0.053232   -0.054088
      2.845151  5.690301  8.535452    -0.046366   -0.044084    0.054088
      8.535452  5.690301  8.535452     0.046366   -0.053232    0.120934
      2.845151  2.845151  0.000000    -0.000328    0.097128   -0.069930
      8.535452  2.845151  0.000000     0.000328    0.077895   -0.027387
      2.845151  8.535452  0.000000    -0.057519   -0.097128    0.027387
      8.535452  8.535452  0.000000     0.057519   -0.077895    0.069930
      2.845151  2.845151  5.690301     0.057519   -0.077895    0.069930
      8.535452  2.845151  5.690301    -0.057519   -0.097128    0.027387
      2.845151  8.535452  5.690301     0.000328    0.077895   -0.027387
      8.535452  8.535452  5.690301    -0.000328    0.097128   -0.069930
      2.845151  2.845151  2.845151     0.121928    0.029908    0.065017
      8.535452  2.845151  2.845151    -0.121928   -0.004202   -0.053537
      2.845151  8.535452  2.845151     0.020497   -0.029908    0.053537
      8.535452  8.535452  2.845151    -0.020497    0.004202   -0.065017
      2.845151  2.845151  8.535452    -0.020497    0.004202   -0.065017
      8.535452  2.845151  8.535452     0.020497   -0.029908    0.053537
      2.845151  8.535452  8.535452    -0.121928   -0.004202   -0.053537
      8.535452  8.535452  8.535452     0.121928    0.029908    0.065017
      2.845151  0.000000  0.000000    -0.040279   -0.013853   -0.050578
      8.535452  0.000000  0.000000     0.040279    0.002372    0.024872
      2.845151  5.690301  0.000000    -0.062314    0.013853   -0.024872
      8.535452  5.690301  0.000000     0.062314   -0.002372    0.050578
      2.845151  0.000000  5.690301     0.062314   -0.002372    0.050578
      8.535452  0.000000  5.690301    -0.062314    0.013853   -0.024872
      2.845151  5.690301  5.690301     0.040279    0.002372    0.024872
      8.535452  5.690301  5.690301    -0.040279   -0.013853   -0.050578
      0.000000  2.845151  0.000000    -0.067389    0.166221   -0.157509
      5.690301  2.845151  0.000000     0.067389    0.144186   -0.015084
      0.000000  8.535452  0.000000    -0.051165   -0.166221    0.015084
      5.690301  8.535452  0.000000     0.051165   -0.144186    0.157509
      0.000000  2.845151  5.690301     0.051165   -0.144186    0.157509
      5.690301  2.845151  5.690301    -0.051165   -0.166221    0.015084
      0.000000  8.535452  5.690301     0.067389    0.144186   -0.015084
      5.690301  8.535452  5.690301    -0.067389    0.166221   -0.157509
      0.000000  0.000000  2.845151    -0.054780   -0.137012    0.103907
      5.690301  0.000000  2.845151     0.054780   -0.035581    0.206500
      0.000000  5.690301  2.845151    -0.020670    0.137012   -0.206500
      5.690301  5.690301  2.845151     0.020670    0.035581   -0.103907
      0.000000  0.000000  8.535452     0.020670    0.035581   -0.103907
      5.690301  0.000000  8.535452    -0.020670    0.137012   -0.206500
      0.000000  5.690301  8.535452     0.054780   -0.035581    0.206500
      5.690301  5.690301  8.535452    -0.054780   -0.137012    0.103907

  87 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.000197    0.084201   -0.015076
      5.690301  0.000000  0.000000     0.000197   -0.005463   -0.040000
      0.000000  5.690301  0.000000     0.103276   -0.084201    0.040000
      5.690301  5.690301  0.000000    -0.103276    0.005463    0.015076
      0.000000  0.000000  5.690301    -0.103276    0.005463    0.015076
      5.690301  0.000000  5.690301     0.103276   -0.084201    0.040000
      0.000000  5.690301  5.690301     0.000197   -0.005463   -0.040000
      5.690301  5.690301  5.690301    -0.000197    0.084201   -0.015076
      0.000000  2.845151  2.845151    -0.046677    0.089181   -0.049424
      5.690301  2.845151  2.845151     0.046677   -0.034105   -0.029314
      0.000000  8.535452  2.845151    -0.001971   -0.089181    0.029314
      5.690301  8.535452  2.845151     0.001971    0.034105    0.049424
      0.000000  2.845151  8.535452     0.001971    0.034105    0.049424
      5.690301  2.845151  8.535452    -0.001971   -0.089181    0.029314
      0.000000  8.535452  8.535452     0.046677   -0.034105   -0.029314
      5.690301  8.535452  8.535452    -0.046677    0.089181   -0.049424
      2.845151  0.000000  2.845151     0.049181   -0.032995   -0.038694
      8.535452  0.000000  2.845151    -0.049181    0.011712    0.064385
      2.845151  5.690301  2.845151    -0.074105    0.032995   -0.064385
      8.535452  5.690301  2.845151     0.074105   -0.011712    0.038694
      2.845151  0.000000  8.535452     0.074105   -0.011712    0.038694
      8.535452  0.000000  8.535452    -0.074105    0.032995   -0.064385
      2.845151  5.690301  8.535452    -0.049181    0.011712    0.064385
      8.535452  5.690301  8.535452     0.049181   -0.032995   -0.038694
      2.845151  2.845151  0.000000    -0.054887    0.064582   -0.034965
      8.535452  2.845151  0.000000     0.054887   -0.038891    0.013683
      2.845151  8.535452  0.000000     0.034777   -0.064582   -0.013683
      8.535452  8.535452  0.000000    -0.034777    0.038891    0.034965
      2.845151  2.845151  5.690301    -0.034777    0.038891    0.034965
      8.535452  2.845151  5.690301     0.034777   -0.064582   -0.013683
      2.845151  8.535452  5.690301     0.054887   -0.038891    0.013683
      8.535452  8.535452  5.690301    -0.054887    0.064582   -0.034965
      2.845151  2.845151  2.845151    -0.101612    0.140596   -0.161229
      8.535452  2.845151  2.845151     0.101612   -0.042917    0.021585
      2.845151  8.535452  2.845151     0.057409   -0.140596   -0.021585
      8.535452  8.535452  2.845151    -0.057409    0.042917    0.161229
      2.845151  2.845151  8.535452    -0.057409    0.042917    0.161229
      8.535452  2.845151  8.535452     0.057409   -0.140596   -0.021585
      2.845151  8.535452  8.535452     0.101612   -0.042917    0.021585
      8.535452  8.535452  8.535452    -0.101612    0.140596   -0.161229
      2.845151  0.000000  0.000000     0.091492    0.030177   -0.091979
      8.535452  0.000000  0.000000    -0.091492    0.109466   -0.005700
      2.845151  5.690301  0.000000    -0.127158   -0.030177    0.005700
      8.535452  5.690301  0.000000     0.127158   -0.109466    0.091979
      2.845151  0.000000  5.690301     0.127158   -0.109466    0.091979
      8.535452  0.000000  5.690301    -0.127158   -0.030177    0.005700
      2.845151  5.690301  5.690301    -0.091492    0.109466   -0.005700
      8.535452  5.690301  5.690301     0.091492    0.030177   -0.091979
      0.000000  2.845151  0.000000     0.051763    0.132107    0.003229
      5.690301  2.845151  0.000000    -0.051763   -0.086543   -0.040974
      0.000000  8.535452  0.000000     0.131051   -0.132107    0.040974
      5.690301  8.535452  0.000000    -0.131051    0.086543   -0.003229
      0.000000  2.845151  5.690301    -0.131051    0.086543   -0.003229
      5.690301  2.845151  5.690301     0.131051   -0.132107    0.040974
      0.000000  8.535452  5.690301    -0.051763   -0.086543   -0.040974
      5.690301  8.535452  5.690301     0.051763    0.132107    0.003229
      0.000000  0.000000  2.845151    -0.134895    0.060638    0.004949
      5.690301  0.000000  2.845151     0.134895   -0.098384    0.040615
      0.000000  5.690301  2.845151     0.048617   -0.060638   -0.040615
      5.690301  5.690301  2.845151    -0.048617    0.098384   -0.004949
      0.000000  0.000000  8.535452    -0.048617    0.098384   -0.004949
      5.690301  0.000000  8.535452     0.048617   -0.060638   -0.040615
      0.000000  5.690301  8.535452     0.134895   -0.098384    0.040615
      5.690301  5.690301  8.535452    -0.134895    0.060638    0.004949

  88 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.073510    0.030857   -0.105222
      5.690301  0.000000  0.000000    -0.073510    0.044023    0.042455
      0.000000  5.690301  0.000000    -0.003797   -0.030857   -0.042455
      5.690301  5.690301  0.000000     0.003797   -0.044023    0.105222
      0.000000  0.000000  5.690301     0.003797   -0.044023    0.105222
      5.690301  0.000000  5.690301    -0.003797   -0.030857   -0.042455
      0.000000  5.690301  5.690301    -0.073510    0.044023    0.042455
      5.690301  5.690301  5.690301     0.073510    0.030857   -0.105222
      0.000000  2.845151  2.845151    -0.017987    0.011178   -0.060534
      5.690301  2.845151  2.845151     0.017987    0.051589   -0.014346
      0.000000  8.535452  2.845151     0.073587   -0.011178    0.014346
      5.690301  8.535452  2.845151    -0.073587   -0.051589    0.060534
      0.000000  2.845151  8.535452    -0.073587   -0.051589    0.060534
      5.690301  2.845151  8.535452     0.073587   -0.011178    0.014346
      0.000000  8.535452  8.535452     0.017987    0.051589   -0.014346
      5.690301  8.535452  8.535452    -0.017987    0.011178   -0.060534
      2.845151  0.000000  2.845151     0.053633   -0.052311   -0.060003
      8.535452  0.000000  2.845151    -0.053633    0.039263    0.009710
      2.845151  5.690301  2.845151     0.094044    0.052311   -0.009710
      8.535452  5.690301  2.845151    -0.094044   -0.039263    0.060003
      2.845151  0.000000  8.535452    -0.094044   -0.039263    0.060003
      8.535452  0.000000  8.535452     0.094044    0.052311   -0.009710
      2.845151  5.690301  8.535452    -0.053633    0.039263    0.009710
      8.535452  5.690301  8.535452     0.053633   -0.052311   -0.060003
      2.845151  2.845151  0.000000    -0.016511   -0.063800    0.021276
      8.535452  2.845151  0.000000     0.016511    0.013507   -0.034324
      2.845151  8.535452  0.000000    -0.029677    0.063800    0.034324
      8.535452  8.535452  0.000000     0.029677   -0.013507   -0.021276
      2.845151  2.845151  5.690301     0.029677   -0.013507   -0.021276
      8.535452  2.845151  5.690301    -0.029677    0.063800    0.034324
      2.845151  8.535452  5.690301     0.016511    0.013507   -0.034324
      8.535452  8.535452  5.690301    -0.016511   -0.063800    0.021276
      2.845151  2.845151  2.845151     0.142629   -0.012893   -0.128220
      8.535452  2.845151  2.845151    -0.142629    0.124213   -0.004582
      2.845151  8.535452  2.845151     0.119279    0.012893    0.004582
      8.535452  8.535452  2.845151    -0.119279   -0.124213    0.128220
      2.845151  2.845151  8.535452    -0.119279   -0.124213    0.128220
      8.535452  2.845151  8.535452     0.119279    0.012893    0.004582
      2.845151  8.535452  8.535452    -0.142629    0.124213   -0.004582
      8.535452  8.535452  8.535452     0.142629   -0.012893   -0.128220
      2.845151  0.000000  0.000000    -0.076793   -0.014803   -0.006356
      8.535452  0.000000  0.000000     0.076793    0.147605   -0.104963
      2.845151  5.690301  0.000000    -0.005123    0.014803    0.104963
      8.535452  5.690301  0.000000     0.005123   -0.147605    0.006356
      2.845151  0.000000  5.690301     0.005123   -0.147605    0.006356
      8.535452  0.000000  5.690301    -0.005123    0.014803    0.104963
      2.845151  5.690301  5.690301     0.076793    0.147605   -0.104963
      8.535452  5.690301  5.690301    -0.076793   -0.014803   -0.006356
      0.000000  2.845151  0.000000    -0.019385   -0.080433   -0.142525
      5.690301  2.845151  0.000000     0.019385   -0.008763    0.119384
      0.000000  8.535452  0.000000     0.143023    0.080433   -0.119384
      5.690301  8.535452  0.000000    -0.143023    0.008763    0.142525
      0.000000  2.845151  5.690301    -0.143023    0.008763    0.142525
      5.690301  2.845151  5.690301     0.143023    0.080433   -0.119384
      0.000000  8.535452  5.690301     0.019385   -0.008763    0.119384
      5.690301  8.535452  5.690301    -0.019385   -0.080433   -0.142525
      0.000000  0.000000  2.845151     0.117857   -0.023245   -0.085556
      5.690301  0.000000  2.845151    -0.117857    0.000105   -0.003640
      0.000000  5.690301  2.845151    -0.019249    0.023245    0.003640
      5.690301  5.690301  2.845151     0.019249   -0.000105    0.085556
      0.000000  0.000000  8.535452     0.019249   -0.000105    0.085556
      5.690301  0.000000  8.535452    -0.019249    0.023245    0.003640
      0.000000  5.690301  8.535452    -0.117857    0.000105   -0.003640
      5.690301  5.690301  8.535452     0.117857   -0.023245   -0.085556

  89 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.042443   -0.006883   -0.042556
      5.690301  0.000000  0.000000    -0.042443    0.003717    0.011176
      0.000000  5.690301  0.000000     0.015790    0.006883   -0.011176
      5.690301  5.690301  0.000000    -0.015790   -0.003717    0.042556
      0.000000  0.000000  5.690301    -0.015790   -0.003717    0.042556
      5.690301  0.000000  5.690301     0.015790    0.006883   -0.011176
      0.000000  5.690301  5.690301    -0.042443    0.003717    0.011176
      5.690301  5.690301  5.690301     0.042443   -0.006883   -0.042556
      0.000000  2.845151  2.845151     0.009362    0.020842    0.095001
      5.690301  2.845151  2.845151    -0.009362    0.010537   -0.091835
      0.000000  8.535452  2.845151    -0.002284   -0.020842    0.091835
      5.690301  8.535452  2.845151     0.002284   -0.010537   -0.095001
      0.000000  2.845151  8.535452     0.002284   -0.010537   -0.095001
      5.690301  2.845151  8.535452    -0.002284   -0.020842    0.091835
      0.000000  8.535452  8.535452    -0.009362    0.010537   -0.091835
      5.690301  8.535452  8.535452     0.009362    0.020842    0.095001
      2.845151  0.000000  2.845151     0.032018    0.046140    0.022143
      8.535452  0.000000  2.845151    -0.032018    0.034494    0.080377
      2.845151  5.690301  2.845151     0.021713   -0.046140   -0.080377
      8.535452  5.690301  2.845151    -0.021713   -0.034494   -0.022143
      2.845151  0.000000  8.535452    -0.021713   -0.034494   -0.022143
      8.535452  0.000000  8.535452     0.021713   -0.046140   -0.080377
      2.845151  5.690301  8.535452    -0.032018    0.034494    0.080377
      8.535452  5.690301  8.535452     0.032018    0.046140    0.022143
      2.845151  2.845151  0.000000     0.098718    0.037934    0.043856
      8.535452  2.845151  0.000000    -0.098718    0.064587    0.036778
      2.845151  8.535452  0.000000     0.088118   -0.037934   -0.036778
      8.535452  8.535452  0.000000    -0.088118   -0.064587   -0.043856
      2.845151  2.845151  5.690301    -0.088118   -0.064587   -0.043856
      8.535452  2.845151  5.690301     0.088118   -0.037934   -0.036778
      2.845151  8.535452  5.690301    -0.098718    0.064587    0.036778
      8.535452  8.535452  5.690301     0.098718    0.037934    0.043856
      2.845151  2.845151  2.845151     0.057047    0.004191   -0.048832
      8.535452  2.845151  2.845151    -0.057047    0.051461    0.054447
      2.845151  8.535452  2.845151     0.038247   -0.004191   -0.054447
      8.535452  8.535452  2.845151    -0.038247   -0.051461    0.048832
      2.845151  2.845151  8.535452    -0.038247   -0.051461    0.048832
      8.535452  2.845151  8.535452     0.038247   -0.004191   -0.054447
      2.845151  8.535452  8.535452    -0.057047    0.051461    0.054447
      8.535452  8.535452  8.535452     0.057047    0.004191   -0.048832
      2.845151  0.000000  0.000000     0.174818    0.007520   -0.021550
      8.535452  0.000000  0.000000    -0.174818   -0.013135   -0.034103
      2.845151  5.690301  0.000000     0.156542   -0.007520    0.034103
      8.535452  5.690301  0.000000    -0.156542    0.013135    0.021550
      2.845151  0.000000  5.690301    -0.156542    0.013135    0.021550
      8.535452  0.000000  5.690301     0.156542   -0.007520    0.034103
      2.845151  5.690301  5.690301    -0.174818   -0.013135   -0.034103
      8.535452  5.690301  5.690301     0.174818    0.007520   -0.021550
      0.000000  2.845151  0.000000     0.061967    0.100049    0.023856
      5.690301  2.845151  0.000000    -0.061967    0.081774    0.119151
      0.000000  8.535452  0.000000     0.041312   -0.100049   -0.119151
      5.690301  8.535452  0.000000    -0.041312   -0.081774   -0.023856
      0.000000  2.845151  5.690301    -0.041312   -0.081774   -0.023856
      5.690301  2.845151  5.690301     0.041312   -0.100049   -0.119151
      0.000000  8.535452  5.690301    -0.061967    0.081774    0.119151
      5.690301  8.535452  5.690301     0.061967    0.100049    0.023856
      0.000000  0.000000  2.845151     0.029911    0.062104    0.256591
      5.690301  0.000000  2.845151    -0.029911    0.080903   -0.074768
      0.000000  5.690301  2.845151    -0.017359   -0.062104    0.074768
      5.690301  5.690301  2.845151     0.017359   -0.080903   -0.256591
      0.000000  0.000000  8.535452     0.017359   -0.080903   -0.256591
      5.690301  0.000000  8.535452    -0.017359   -0.062104    0.074768
      0.000000  5.690301  8.535452    -0.029911    0.080903   -0.074768
      5.690301  5.690301  8.535452     0.029911    0.062104    0.256591

  90 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.024636   -0.061939   -0.094305
      5.690301  0.000000  0.000000    -0.024636   -0.073465   -0.030714
      0.000000  5.690301  0.000000    -0.005380    0.061939    0.030714
      5.690301  5.690301  0.000000     0.005380    0.073465    0.094305
      0.000000  0.000000  5.690301     0.005380    0.073465    0.094305
      5.690301  0.000000  5.690301    -0.005380    0.061939    0.030714
      0.000000  5.690301  5.690301    -0.024636   -0.073465   -0.030714
      5.690301  5.690301  5.690301     0.024636   -0.061939   -0.094305
      0.000000  2.845151  2.845151     0.005566    0.089175    0.050044
      5.690301  2.845151  2.845151    -0.005566    0.035844    0.085361
      0.000000  8.535452  2.845151    -0.083303   -0.089175   -0.085361
      5.690301  8.535452  2.845151     0.083303   -0.035844   -0.050044
      0.000000  2.845151  8.535452     0.083303   -0.035844   -0.050044
      5.690301  2.845151  8.535452    -0.083303   -0.089175   -0.085361
      0.000000  8.535452  8.535452    -0.005566    0.035844    0.085361
      5.690301  8.535452  8.535452     0.005566    0.089175    0.050044
      2.845151  0.000000  2.845151     0.058460    0.052172   -0.035240
      8.535452  0.000000  2.845151    -0.058460   -0.036697   -0.015984
      2.845151  5.690301  2.845151     0.005130   -0.052172    0.015984
      8.535452  5.690301  2.845151    -0.005130    0.036697    0.035240
      2.845151  0.000000  8.535452    -0.005130    0.036697    0.035240
      8.535452  0.000000  8.535452     0.005130   -0.052172    0.015984
      2.845151  5.690301  8.535452    -0.058460   -0.036697   -0.015984
      8.535452  5.690301  8.535452     0.058460    0.052172   -0.035240
      2.845151  2.845151  0.000000    -0.023421   -0.040620   -0.031131
      8.535452  2.845151  0.000000     0.023421   -0.010604    0.046606
      2.845151  8.535452  0.000000    -0.011895    0.040620   -0.046606
      8.535452  8.535452  0.000000     0.011895    0.010604    0.031131
      2.845151  2.845151  5.690301     0.011895    0.010604    0.031131
      8.535452  2.845151  5.690301    -0.011895    0.040620   -0.046606
      2.845151  8.535452  5.690301     0.023421   -0.010604    0.046606
      8.535452  8.535452  5.690301    -0.023421   -0.040620   -0.031131
      2.845151  2.845151  2.845151     0.046169    0.084245    0.102996
      8.535452  2.845151  2.845151    -0.046169    0.137480    0.137147
      2.845151  8.535452  2.845151     0.066611   -0.084245   -0.137147
      8.535452  8.535452  2.845151    -0.066611   -0.137480   -0.102996
      2.845151  2.845151  8.535452    -0.066611   -0.137480   -0.102996
      8.535452  2.845151  8.535452     0.066611   -0.084245   -0.137147
      2.845151  8.535452  8.535452    -0.046169    0.137480    0.137147
      8.535452  8.535452  8.535452     0.046169    0.084245    0.102996
      2.845151  0.000000  0.000000     0.015974   -0.041266   -0.179796
      8.535452  0.000000  0.000000    -0.015974   -0.198878   -0.041928
      2.845151  5.690301  0.000000    -0.078608    0.041266    0.041928
      8.535452  5.690301  0.000000     0.078608    0.198878    0.179796
      2.845151  0.000000  5.690301     0.078608    0.198878    0.179796
      8.535452  0.000000  5.690301    -0.078608    0.041266    0.041928
      2.845151  5.690301  5.690301    -0.015974   -0.198878   -0.041928
      8.535452  5.690301  5.690301     0.015974   -0.041266   -0.179796
      0.000000  2.845151  0.000000     0.095881    0.001868   -0.042667
      5.690301  2.845151  0.000000    -0.095881   -0.092714    0.070112
      0.000000  8.535452  0.000000    -0.061731   -0.001868   -0.070112
      5.690301  8.535452  0.000000     0.061731    0.092714    0.042667
      0.000000  2.845151  5.690301     0.061731    0.092714    0.042667
      5.690301  2.845151  5.690301    -0.061731   -0.001868   -0.070112
      0.000000  8.535452  5.690301    -0.095881   -0.092714    0.070112
      5.690301  8.535452  5.690301     0.095881    0.001868   -0.042667
      0.000000  0.000000  2.845151    -0.042316    0.023944   -0.076740
      5.690301  0.000000  2.845151     0.042316    0.003501   -0.014106
      0.000000  5.690301  2.845151    -0.095551   -0.023944    0.014106
      5.690301  5.690301  2.845151     0.095551   -0.003501    0.076740
      0.000000  0.000000  8.535452     0.095551   -0.003501    0.076740
      5.690301  0.000000  8.535452    -0.095551   -0.023944    0.014106
      0.000000  5.690301  8.535452     0.042316    0.003501   -0.014106
      5.690301  5.690301  8.535452    -0.042316    0.023944   -0.076740

  91 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.000946    0.017591    0.005960
      5.690301  0.000000  0.000000     0.000946   -0.002579    0.001879
      0.000000  5.690301  0.000000    -0.027585   -0.017591   -0.001879
      5.690301  5.690301  0.000000     0.027585    0.002579   -0.005960
      0.000000  0.000000  5.690301     0.027585    0.002579   -0.005960
      5.690301  0.000000  5.690301    -0.027585   -0.017591   -0.001879
      0.000000  5.690301  5.690301     0.000946   -0.002579    0.001879
      5.690301  5.690301  5.690301    -0.000946    0.017591    0.005960
      0.000000  2.845151  2.845151    -0.010453    0.004871   -0.065023
      5.690301  2.845151  2.845151     0.010453   -0.012710    0.050012
      0.000000  8.535452  2.845151     0.009100   -0.004871   -0.050012
      5.690301  8.535452  2.845151    -0.009100    0.012710    0.065023
      0.000000  2.845151  8.535452    -0.009100    0.012710    0.065023
      5.690301  2.845151  8.535452     0.009100   -0.004871   -0.050012
      0.000000  8.535452  8.535452     0.010453   -0.012710    0.050012
      5.690301  8.535452  8.535452    -0.010453    0.004871   -0.065023
      2.845151  0.000000  2.845151     0.006750    0.089096    0.049780
      8.535452  0.000000  2.845151    -0.006750    0.108648    0.021249
      2.845151  5.690301  2.845151    -0.010831   -0.089096   -0.021249
      8.535452  5.690301  2.845151     0.010831   -0.108648   -0.049780
      2.845151  0.000000  8.535452     0.010831   -0.108648   -0.049780
      8.535452  0.000000  8.535452    -0.010831   -0.089096   -0.021249
      2.845151  5.690301  8.535452    -0.006750    0.108648    0.021249
      8.535452  5.690301  8.535452     0.006750    0.089096    0.049780
      2.845151  2.845151  0.000000    -0.067602    0.022194    0.098195
      8.535452  2.845151  0.000000     0.067602    0.048834    0.099549
      2.845151  8.535452  0.000000    -0.047433   -0.022194   -0.099549
      8.535452  8.535452  0.000000     0.047433   -0.048834   -0.098195
      2.845151  2.845151  5.690301     0.047433   -0.048834   -0.098195
      8.535452  2.845151  5.690301    -0.047433   -0.022194   -0.099549
      2.845151  8.535452  5.690301     0.067602    0.048834    0.099549
      8.535452  8.535452  5.690301    -0.067602    0.022194    0.098195
      2.845151  2.845151  2.845151    -0.021504   -0.030575    0.011988
      8.535452  2.845151  2.845151     0.021504    0.016672   -0.038612
      2.845151  8.535452  2.845151     0.014267    0.030575    0.038612
      8.535452  8.535452  2.845151    -0.014267   -0.016672   -0.011988
      2.845151  2.845151  8.535452    -0.014267   -0.016672   -0.011988
      8.535452  2.845151  8.535452     0.014267    0.030575    0.038612
      2.845151  8.535452  8.535452     0.021504    0.016672   -0.038612
      8.535452  8.535452  8.535452    -0.021504   -0.030575    0.011988
      2.845151  0.000000  0.000000    -0.086419   -0.004027    0.005751
      8.535452  0.000000  0.000000     0.086419    0.030650    0.008152
      2.845151  5.690301  0.000000    -0.117598    0.004027   -0.008152
      8.535452  5.690301  0.000000     0.117598   -0.030650   -0.005751
      2.845151  0.000000  5.690301     0.117598   -0.030650   -0.005751
      8.535452  0.000000  5.690301    -0.117598    0.004027   -0.008152
      2.845151  5.690301  5.690301     0.086419    0.030650    0.008152
      8.535452  5.690301  5.690301    -0.086419   -0.004027    0.005751
      0.000000  2.845151  0.000000    -0.042639    0.078575    0.178970
      5.690301  2.845151  0.000000     0.042639    0.047396    0.171733
      0.000000  8.535452  0.000000    -0.007962   -0.078575   -0.171733
      5.690301  8.535452  0.000000     0.007962   -0.047396   -0.178970
      0.000000  2.845151  5.690301     0.007962   -0.047396   -0.178970
      5.690301  2.845151  5.690301    -0.007962   -0.078575   -0.171733
      0.000000  8.535452  5.690301     0.042639    0.047396    0.171733
      5.690301  8.535452  5.690301    -0.042639    0.078575    0.178970
      0.000000  0.000000  2.845151     0.022423    0.193237   -0.039023
      5.690301  0.000000  2.845151    -0.022423    0.157466    0.164994
      0.000000  5.690301  2.845151    -0.024823   -0.193237   -0.164994
      5.690301  5.690301  2.845151     0.024823   -0.157466    0.039023
      0.000000  0.000000  8.535452     0.024823   -0.157466    0.039023
      5.690301  0.000000  8.535452    -0.024823   -0.193237   -0.164994
      0.000000  5.690301  8.535452    -0.022423    0.157466    0.164994
      5.690301  5.690301  8.535452     0.022423    0.193237   -0.039023

  92 f  =    4.298678 THz    27.009391 2PiTHz  143.388461 cm-1    17.777910 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.046318   -0.055609   -0.010865
      5.690301  0.000000  0.000000     0.046318    0.103461    0.055993
      0.000000  5.690301  0.000000     0.050371    0.055609   -0.055993
      5.690301  5.690301  0.000000    -0.050371   -0.103461    0.010865
      0.000000  0.000000  5.690301    -0.050371   -0.103461    0.010865
      5.690301  0.000000  5.690301     0.050371    0.055609   -0.055993
      0.000000  5.690301  5.690301     0.046318    0.103461    0.055993
      5.690301  5.690301  5.690301    -0.046318   -0.055609   -0.010865
      0.000000  2.845151  2.845151     0.039723    0.019228   -0.025221
      5.690301  2.845151  2.845151    -0.039723   -0.064356   -0.022631
      0.000000  8.535452  2.845151    -0.022432   -0.019228    0.022631
      5.690301  8.535452  2.845151     0.022432    0.064356    0.025221
      0.000000  2.845151  8.535452     0.022432    0.064356    0.025221
      5.690301  2.845151  8.535452    -0.022432   -0.019228    0.022631
      0.000000  8.535452  8.535452    -0.039723   -0.064356   -0.022631
      5.690301  8.535452  8.535452     0.039723    0.019228   -0.025221
      2.845151  0.000000  2.845151     0.075221    0.053522   -0.032329
      8.535452  0.000000  2.845151    -0.075221   -0.008633   -0.028276
      2.845151  5.690301  2.845151    -0.008362   -0.053522    0.028276
      8.535452  5.690301  2.845151     0.008362    0.008633    0.032329
      2.845151  0.000000  8.535452     0.008362    0.008633    0.032329
      8.535452  0.000000  8.535452    -0.008362   -0.053522    0.028276
      2.845151  5.690301  8.535452    -0.075221   -0.008633   -0.028276
      8.535452  5.690301  8.535452     0.075221    0.053522   -0.032329
      2.845151  2.845151  0.000000     0.078240    0.018042    0.031090
      8.535452  2.845151  0.000000    -0.078240   -0.078647    0.013799
      2.845151  8.535452  0.000000    -0.080830   -0.018042   -0.013799
      8.535452  8.535452  0.000000     0.080830    0.078647   -0.031090
      2.845151  2.845151  5.690301     0.080830    0.078647   -0.031090
      8.535452  2.845151  5.690301    -0.080830   -0.018042   -0.013799
      2.845151  8.535452  5.690301    -0.078240   -0.078647    0.013799
      8.535452  8.535452  5.690301     0.078240    0.018042    0.031090
      2.845151  2.845151  2.845151     0.200345    0.045722   -0.046027
      8.535452  2.845151  2.845151    -0.200345   -0.125759   -0.038840
      2.845151  8.535452  2.845151    -0.081770   -0.045722    0.038840
      8.535452  8.535452  2.845151     0.081770    0.125759    0.046027
      2.845151  2.845151  8.535452     0.081770    0.125759    0.046027
      8.535452  2.845151  8.535452    -0.081770   -0.045722    0.038840
      2.845151  8.535452  8.535452    -0.200345   -0.125759   -0.038840
      8.535452  8.535452  8.535452     0.200345    0.045722   -0.046027
      2.845151  0.000000  0.000000     0.071822    0.097550    0.055351
      8.535452  0.000000  0.000000    -0.071822   -0.012683    0.024685
      2.845151  5.690301  0.000000    -0.076415   -0.097550   -0.024685
      8.535452  5.690301  0.000000     0.076415    0.012683   -0.055351
      2.845151  0.000000  5.690301     0.076415    0.012683   -0.055351
      8.535452  0.000000  5.690301    -0.076415   -0.097550   -0.024685
      2.845151  5.690301  5.690301    -0.071822   -0.012683    0.024685
      8.535452  5.690301  5.690301     0.071822    0.097550    0.055351
      0.000000  2.845151  0.000000     0.058710    0.020377   -0.019482
      5.690301  2.845151  0.000000    -0.058710   -0.127861    0.099093
      0.000000  8.535452  0.000000    -0.051522   -0.020377   -0.099093
      5.690301  8.535452  0.000000     0.051522    0.127861    0.019482
      0.000000  2.845151  5.690301     0.051522    0.127861    0.019482
      5.690301  2.845151  5.690301    -0.051522   -0.020377   -0.099093
      0.000000  8.535452  5.690301    -0.058710   -0.127861    0.099093
      5.690301  8.535452  5.690301     0.058710    0.020377   -0.019482
      0.000000  0.000000  2.845151    -0.070407   -0.101251   -0.056038
      5.690301  0.000000  2.845151     0.070407    0.180863   -0.051446
      0.000000  5.690301  2.845151     0.101074    0.101251    0.051446
      5.690301  5.690301  2.845151    -0.101074   -0.180863    0.056038
      0.000000  0.000000  8.535452    -0.101074   -0.180863    0.056038
      5.690301  0.000000  8.535452     0.101074    0.101251    0.051446
      0.000000  5.690301  8.535452     0.070407    0.180863   -0.051446
      5.690301  5.690301  8.535452    -0.070407   -0.101251   -0.056038

  93 f  =    4.130264 THz    25.951211 2PiTHz  137.770758 cm-1    17.081403 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.005595   -0.136165    0.002081
      5.690301  0.000000  0.000000    -0.005595   -0.136165    0.002081
      0.000000  5.690301  0.000000    -0.005595   -0.136165    0.002081
      5.690301  5.690301  0.000000    -0.005595   -0.136165    0.002081
      0.000000  0.000000  5.690301    -0.005595   -0.136165    0.002081
      5.690301  0.000000  5.690301    -0.005595   -0.136165    0.002081
      0.000000  5.690301  5.690301    -0.005595   -0.136165    0.002081
      5.690301  5.690301  5.690301    -0.005595   -0.136165    0.002081
      0.000000  2.845151  2.845151    -0.005595    0.136165   -0.002081
      5.690301  2.845151  2.845151    -0.005595    0.136165   -0.002081
      0.000000  8.535452  2.845151    -0.005595    0.136165   -0.002081
      5.690301  8.535452  2.845151    -0.005595    0.136165   -0.002081
      0.000000  2.845151  8.535452    -0.005595    0.136165   -0.002081
      5.690301  2.845151  8.535452    -0.005595    0.136165   -0.002081
      0.000000  8.535452  8.535452    -0.005595    0.136165   -0.002081
      5.690301  8.535452  8.535452    -0.005595    0.136165   -0.002081
      2.845151  0.000000  2.845151     0.005595   -0.136165   -0.002081
      8.535452  0.000000  2.845151     0.005595   -0.136165   -0.002081
      2.845151  5.690301  2.845151     0.005595   -0.136165   -0.002081
      8.535452  5.690301  2.845151     0.005595   -0.136165   -0.002081
      2.845151  0.000000  8.535452     0.005595   -0.136165   -0.002081
      8.535452  0.000000  8.535452     0.005595   -0.136165   -0.002081
      2.845151  5.690301  8.535452     0.005595   -0.136165   -0.002081
      8.535452  5.690301  8.535452     0.005595   -0.136165   -0.002081
      2.845151  2.845151  0.000000     0.005595    0.136165    0.002081
      8.535452  2.845151  0.000000     0.005595    0.136165    0.002081
      2.845151  8.535452  0.000000     0.005595    0.136165    0.002081
      8.535452  8.535452  0.000000     0.005595    0.136165    0.002081
      2.845151  2.845151  5.690301     0.005595    0.136165    0.002081
      8.535452  2.845151  5.690301     0.005595    0.136165    0.002081
      2.845151  8.535452  5.690301     0.005595    0.136165    0.002081
      8.535452  8.535452  5.690301     0.005595    0.136165    0.002081
      2.845151  2.845151  2.845151    -0.004621   -0.112469    0.001719
      8.535452  2.845151  2.845151    -0.004621   -0.112469    0.001719
      2.845151  8.535452  2.845151    -0.004621   -0.112469    0.001719
      8.535452  8.535452  2.845151    -0.004621   -0.112469    0.001719
      2.845151  2.845151  8.535452    -0.004621   -0.112469    0.001719
      8.535452  2.845151  8.535452    -0.004621   -0.112469    0.001719
      2.845151  8.535452  8.535452    -0.004621   -0.112469    0.001719
      8.535452  8.535452  8.535452    -0.004621   -0.112469    0.001719
      2.845151  0.000000  0.000000    -0.004621    0.112469   -0.001719
      8.535452  0.000000  0.000000    -0.004621    0.112469   -0.001719
      2.845151  5.690301  0.000000    -0.004621    0.112469   -0.001719
      8.535452  5.690301  0.000000    -0.004621    0.112469   -0.001719
      2.845151  0.000000  5.690301    -0.004621    0.112469   -0.001719
      8.535452  0.000000  5.690301    -0.004621    0.112469   -0.001719
      2.845151  5.690301  5.690301    -0.004621    0.112469   -0.001719
      8.535452  5.690301  5.690301    -0.004621    0.112469   -0.001719
      0.000000  2.845151  0.000000     0.004621   -0.112469   -0.001719
      5.690301  2.845151  0.000000     0.004621   -0.112469   -0.001719
      0.000000  8.535452  0.000000     0.004621   -0.112469   -0.001719
      5.690301  8.535452  0.000000     0.004621   -0.112469   -0.001719
      0.000000  2.845151  5.690301     0.004621   -0.112469   -0.001719
      5.690301  2.845151  5.690301     0.004621   -0.112469   -0.001719
      0.000000  8.535452  5.690301     0.004621   -0.112469   -0.001719
      5.690301  8.535452  5.690301     0.004621   -0.112469   -0.001719
      0.000000  0.000000  2.845151     0.004621    0.112469    0.001719
      5.690301  0.000000  2.845151     0.004621    0.112469    0.001719
      0.000000  5.690301  2.845151     0.004621    0.112469    0.001719
      5.690301  5.690301  2.845151     0.004621    0.112469    0.001719
      0.000000  0.000000  8.535452     0.004621    0.112469    0.001719
      5.690301  0.000000  8.535452     0.004621    0.112469    0.001719
      0.000000  5.690301  8.535452     0.004621    0.112469    0.001719
      5.690301  5.690301  8.535452     0.004621    0.112469    0.001719

  94 f  =    4.130264 THz    25.951211 2PiTHz  137.770758 cm-1    17.081403 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.136181    0.005592   -0.000201
      5.690301  0.000000  0.000000    -0.136181    0.005592   -0.000201
      0.000000  5.690301  0.000000    -0.136181    0.005592   -0.000201
      5.690301  5.690301  0.000000    -0.136181    0.005592   -0.000201
      0.000000  0.000000  5.690301    -0.136181    0.005592   -0.000201
      5.690301  0.000000  5.690301    -0.136181    0.005592   -0.000201
      0.000000  5.690301  5.690301    -0.136181    0.005592   -0.000201
      5.690301  5.690301  5.690301    -0.136181    0.005592   -0.000201
      0.000000  2.845151  2.845151    -0.136181   -0.005592    0.000201
      5.690301  2.845151  2.845151    -0.136181   -0.005592    0.000201
      0.000000  8.535452  2.845151    -0.136181   -0.005592    0.000201
      5.690301  8.535452  2.845151    -0.136181   -0.005592    0.000201
      0.000000  2.845151  8.535452    -0.136181   -0.005592    0.000201
      5.690301  2.845151  8.535452    -0.136181   -0.005592    0.000201
      0.000000  8.535452  8.535452    -0.136181   -0.005592    0.000201
      5.690301  8.535452  8.535452    -0.136181   -0.005592    0.000201
      2.845151  0.000000  2.845151     0.136181    0.005592    0.000201
      8.535452  0.000000  2.845151     0.136181    0.005592    0.000201
      2.845151  5.690301  2.845151     0.136181    0.005592    0.000201
      8.535452  5.690301  2.845151     0.136181    0.005592    0.000201
      2.845151  0.000000  8.535452     0.136181    0.005592    0.000201
      8.535452  0.000000  8.535452     0.136181    0.005592    0.000201
      2.845151  5.690301  8.535452     0.136181    0.005592    0.000201
      8.535452  5.690301  8.535452     0.136181    0.005592    0.000201
      2.845151  2.845151  0.000000     0.136181   -0.005592   -0.000201
      8.535452  2.845151  0.000000     0.136181   -0.005592   -0.000201
      2.845151  8.535452  0.000000     0.136181   -0.005592   -0.000201
      8.535452  8.535452  0.000000     0.136181   -0.005592   -0.000201
      2.845151  2.845151  5.690301     0.136181   -0.005592   -0.000201
      8.535452  2.845151  5.690301     0.136181   -0.005592   -0.000201
      2.845151  8.535452  5.690301     0.136181   -0.005592   -0.000201
      8.535452  8.535452  5.690301     0.136181   -0.005592   -0.000201
      2.845151  2.845151  2.845151    -0.112482    0.004619   -0.000166
      8.535452  2.845151  2.845151    -0.112482    0.004619   -0.000166
      2.845151  8.535452  2.845151    -0.112482    0.004619   -0.000166
      8.535452  8.535452  2.845151    -0.112482    0.004619   -0.000166
      2.845151  2.845151  8.535452    -0.112482    0.004619   -0.000166
      8.535452  2.845151  8.535452    -0.112482    0.004619   -0.000166
      2.845151  8.535452  8.535452    -0.112482    0.004619   -0.000166
      8.535452  8.535452  8.535452    -0.112482    0.004619   -0.000166
      2.845151  0.000000  0.000000    -0.112482   -0.004619    0.000166
      8.535452  0.000000  0.000000    -0.112482   -0.004619    0.000166
      2.845151  5.690301  0.000000    -0.112482   -0.004619    0.000166
      8.535452  5.690301  0.000000    -0.112482   -0.004619    0.000166
      2.845151  0.000000  5.690301    -0.112482   -0.004619    0.000166
      8.535452  0.000000  5.690301    -0.112482   -0.004619    0.000166
      2.845151  5.690301  5.690301    -0.112482   -0.004619    0.000166
      8.535452  5.690301  5.690301    -0.112482   -0.004619    0.000166
      0.000000  2.845151  0.000000     0.112482    0.004619    0.000166
      5.690301  2.845151  0.000000     0.112482    0.004619    0.000166
      0.000000  8.535452  0.000000     0.112482    0.004619    0.000166
      5.690301  8.535452  0.000000     0.112482    0.004619    0.000166
      0.000000  2.845151  5.690301     0.112482    0.004619    0.000166
      5.690301  2.845151  5.690301     0.112482    0.004619    0.000166
      0.000000  8.535452  5.690301     0.112482    0.004619    0.000166
      5.690301  8.535452  5.690301     0.112482    0.004619    0.000166
      0.000000  0.000000  2.845151     0.112482   -0.004619   -0.000166
      5.690301  0.000000  2.845151     0.112482   -0.004619   -0.000166
      0.000000  5.690301  2.845151     0.112482   -0.004619   -0.000166
      5.690301  5.690301  2.845151     0.112482   -0.004619   -0.000166
      0.000000  0.000000  8.535452     0.112482   -0.004619   -0.000166
      5.690301  0.000000  8.535452     0.112482   -0.004619   -0.000166
      0.000000  5.690301  8.535452     0.112482   -0.004619   -0.000166
      5.690301  5.690301  8.535452     0.112482   -0.004619   -0.000166

  95 f  =    4.130264 THz    25.951211 2PiTHz  137.770758 cm-1    17.081403 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000116   -0.002088   -0.136279
      5.690301  0.000000  0.000000     0.000116   -0.002088   -0.136279
      0.000000  5.690301  0.000000     0.000116   -0.002088   -0.136279
      5.690301  5.690301  0.000000     0.000116   -0.002088   -0.136279
      0.000000  0.000000  5.690301     0.000116   -0.002088   -0.136279
      5.690301  0.000000  5.690301     0.000116   -0.002088   -0.136279
      0.000000  5.690301  5.690301     0.000116   -0.002088   -0.136279
      5.690301  5.690301  5.690301     0.000116   -0.002088   -0.136279
      0.000000  2.845151  2.845151     0.000116    0.002088    0.136279
      5.690301  2.845151  2.845151     0.000116    0.002088    0.136279
      0.000000  8.535452  2.845151     0.000116    0.002088    0.136279
      5.690301  8.535452  2.845151     0.000116    0.002088    0.136279
      0.000000  2.845151  8.535452     0.000116    0.002088    0.136279
      5.690301  2.845151  8.535452     0.000116    0.002088    0.136279
      0.000000  8.535452  8.535452     0.000116    0.002088    0.136279
      5.690301  8.535452  8.535452     0.000116    0.002088    0.136279
      2.845151  0.000000  2.845151    -0.000116   -0.002088    0.136279
      8.535452  0.000000  2.845151    -0.000116   -0.002088    0.136279
      2.845151  5.690301  2.845151    -0.000116   -0.002088    0.136279
      8.535452  5.690301  2.845151    -0.000116   -0.002088    0.136279
      2.845151  0.000000  8.535452    -0.000116   -0.002088    0.136279
      8.535452  0.000000  8.535452    -0.000116   -0.002088    0.136279
      2.845151  5.690301  8.535452    -0.000116   -0.002088    0.136279
      8.535452  5.690301  8.535452    -0.000116   -0.002088    0.136279
      2.845151  2.845151  0.000000    -0.000116    0.002088   -0.136279
      8.535452  2.845151  0.000000    -0.000116    0.002088   -0.136279
      2.845151  8.535452  0.000000    -0.000116    0.002088   -0.136279
      8.535452  8.535452  0.000000    -0.000116    0.002088   -0.136279
      2.845151  2.845151  5.690301    -0.000116    0.002088   -0.136279
      8.535452  2.845151  5.690301    -0.000116    0.002088   -0.136279
      2.845151  8.535452  5.690301    -0.000116    0.002088   -0.136279
      8.535452  8.535452  5.690301    -0.000116    0.002088   -0.136279
      2.845151  2.845151  2.845151     0.000095   -0.001724   -0.112564
      8.535452  2.845151  2.845151     0.000095   -0.001724   -0.112564
      2.845151  8.535452  2.845151     0.000095   -0.001724   -0.112564
      8.535452  8.535452  2.845151     0.000095   -0.001724   -0.112564
      2.845151  2.845151  8.535452     0.000095   -0.001724   -0.112564
      8.535452  2.845151  8.535452     0.000095   -0.001724   -0.112564
      2.845151  8.535452  8.535452     0.000095   -0.001724   -0.112564
      8.535452  8.535452  8.535452     0.000095   -0.001724   -0.112564
      2.845151  0.000000  0.000000     0.000095    0.001724    0.112564
      8.535452  0.000000  0.000000     0.000095    0.001724    0.112564
      2.845151  5.690301  0.000000     0.000095    0.001724    0.112564
      8.535452  5.690301  0.000000     0.000095    0.001724    0.112564
      2.845151  0.000000  5.690301     0.000095    0.001724    0.112564
      8.535452  0.000000  5.690301     0.000095    0.001724    0.112564
      2.845151  5.690301  5.690301     0.000095    0.001724    0.112564
      8.535452  5.690301  5.690301     0.000095    0.001724    0.112564
      0.000000  2.845151  0.000000    -0.000095   -0.001724    0.112564
      5.690301  2.845151  0.000000    -0.000095   -0.001724    0.112564
      0.000000  8.535452  0.000000    -0.000095   -0.001724    0.112564
      5.690301  8.535452  0.000000    -0.000095   -0.001724    0.112564
      0.000000  2.845151  5.690301    -0.000095   -0.001724    0.112564
      5.690301  2.845151  5.690301    -0.000095   -0.001724    0.112564
      0.000000  8.535452  5.690301    -0.000095   -0.001724    0.112564
      5.690301  8.535452  5.690301    -0.000095   -0.001724    0.112564
      0.000000  0.000000  2.845151    -0.000095    0.001724   -0.112564
      5.690301  0.000000  2.845151    -0.000095    0.001724   -0.112564
      0.000000  5.690301  2.845151    -0.000095    0.001724   -0.112564
      5.690301  5.690301  2.845151    -0.000095    0.001724   -0.112564
      0.000000  0.000000  8.535452    -0.000095    0.001724   -0.112564
      5.690301  0.000000  8.535452    -0.000095    0.001724   -0.112564
      0.000000  5.690301  8.535452    -0.000095    0.001724   -0.112564
      5.690301  5.690301  8.535452    -0.000095    0.001724   -0.112564

  96 f  =    3.887126 THz    24.423535 2PiTHz  129.660571 cm-1    16.075868 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151    -0.002057    0.100345    0.000105
      8.535452  2.845151  2.845151     0.002057    0.100345    0.000105
      2.845151  8.535452  2.845151    -0.002057   -0.100345    0.000105
      8.535452  8.535452  2.845151     0.002057   -0.100345    0.000105
      2.845151  2.845151  8.535452    -0.002057    0.100345   -0.000105
      8.535452  2.845151  8.535452     0.002057    0.100345   -0.000105
      2.845151  8.535452  8.535452    -0.002057   -0.100345   -0.000105
      8.535452  8.535452  8.535452     0.002057   -0.100345   -0.000105
      2.845151  0.000000  0.000000     0.002057   -0.224603   -0.002596
      8.535452  0.000000  0.000000    -0.002057   -0.224603   -0.002596
      2.845151  5.690301  0.000000     0.002057    0.224603   -0.002596
      8.535452  5.690301  0.000000    -0.002057    0.224603   -0.002596
      2.845151  0.000000  5.690301     0.002057   -0.224603    0.002596
      8.535452  0.000000  5.690301    -0.002057   -0.224603    0.002596
      2.845151  5.690301  5.690301     0.002057    0.224603    0.002596
      8.535452  5.690301  5.690301    -0.002057    0.224603    0.002596
      0.000000  2.845151  0.000000     0.044424   -0.100345    0.002596
      5.690301  2.845151  0.000000    -0.044424   -0.100345    0.002596
      0.000000  8.535452  0.000000     0.044424    0.100345    0.002596
      5.690301  8.535452  0.000000    -0.044424    0.100345    0.002596
      0.000000  2.845151  5.690301     0.044424   -0.100345   -0.002596
      5.690301  2.845151  5.690301    -0.044424   -0.100345   -0.002596
      0.000000  8.535452  5.690301     0.044424    0.100345   -0.002596
      5.690301  8.535452  5.690301    -0.044424    0.100345   -0.002596
      0.000000  0.000000  2.845151    -0.044424    0.224603   -0.000105
      5.690301  0.000000  2.845151     0.044424    0.224603   -0.000105
      0.000000  5.690301  2.845151    -0.044424   -0.224603   -0.000105
      5.690301  5.690301  2.845151     0.044424   -0.224603   -0.000105
      0.000000  0.000000  8.535452    -0.044424    0.224603    0.000105
      5.690301  0.000000  8.535452     0.044424    0.224603    0.000105
      0.000000  5.690301  8.535452    -0.044424   -0.224603    0.000105
      5.690301  5.690301  8.535452     0.044424   -0.224603    0.000105

  97 f  =    3.887126 THz    24.423535 2PiTHz  129.660571 cm-1    16.075868 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151    -0.075618   -0.009279   -0.001723
      8.535452  2.845151  2.845151     0.075618   -0.009279   -0.001723
      2.845151  8.535452  2.845151    -0.075618    0.009279   -0.001723
      8.535452  8.535452  2.845151     0.075618    0.009279   -0.001723
      2.845151  2.845151  8.535452    -0.075618   -0.009279    0.001723
      8.535452  2.845151  8.535452     0.075618   -0.009279    0.001723
      2.845151  8.535452  8.535452    -0.075618    0.009279    0.001723
      8.535452  8.535452  8.535452     0.075618    0.009279    0.001723
      2.845151  0.000000  0.000000     0.075618    0.036929   -0.129095
      8.535452  0.000000  0.000000    -0.075618    0.036929   -0.129095
      2.845151  5.690301  0.000000     0.075618   -0.036929   -0.129095
      8.535452  5.690301  0.000000    -0.075618   -0.036929   -0.129095
      2.845151  0.000000  5.690301     0.075618    0.036929    0.129095
      8.535452  0.000000  5.690301    -0.075618    0.036929    0.129095
      2.845151  5.690301  5.690301     0.075618   -0.036929    0.129095
      8.535452  5.690301  5.690301    -0.075618   -0.036929    0.129095
      0.000000  2.845151  0.000000     0.196630    0.009279    0.129095
      5.690301  2.845151  0.000000    -0.196630    0.009279    0.129095
      0.000000  8.535452  0.000000     0.196630   -0.009279    0.129095
      5.690301  8.535452  0.000000    -0.196630   -0.009279    0.129095
      0.000000  2.845151  5.690301     0.196630    0.009279   -0.129095
      5.690301  2.845151  5.690301    -0.196630    0.009279   -0.129095
      0.000000  8.535452  5.690301     0.196630   -0.009279   -0.129095
      5.690301  8.535452  5.690301    -0.196630   -0.009279   -0.129095
      0.000000  0.000000  2.845151    -0.196630   -0.036929    0.001723
      5.690301  0.000000  2.845151     0.196630   -0.036929    0.001723
      0.000000  5.690301  2.845151    -0.196630    0.036929    0.001723
      5.690301  5.690301  2.845151     0.196630    0.036929    0.001723
      0.000000  0.000000  8.535452    -0.196630   -0.036929   -0.001723
      5.690301  0.000000  8.535452     0.196630   -0.036929   -0.001723
      0.000000  5.690301  8.535452    -0.196630    0.036929   -0.001723
      5.690301  5.690301  8.535452     0.196630    0.036929   -0.001723

  98 f  =    3.887126 THz    24.423535 2PiTHz  129.660571 cm-1    16.075868 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151    -0.064114    0.219049    0.000654
      8.535452  2.845151  2.845151     0.064114    0.219049    0.000654
      2.845151  8.535452  2.845151    -0.064114   -0.219049    0.000654
      8.535452  8.535452  2.845151     0.064114   -0.219049    0.000654
      2.845151  2.845151  8.535452    -0.064114    0.219049   -0.000654
      8.535452  2.845151  8.535452     0.064114    0.219049   -0.000654
      2.845151  8.535452  8.535452    -0.064114   -0.219049   -0.000654
      8.535452  8.535452  8.535452     0.064114   -0.219049   -0.000654
      2.845151  0.000000  0.000000     0.064114    0.089980   -0.019421
      8.535452  0.000000  0.000000    -0.064114    0.089980   -0.019421
      2.845151  5.690301  0.000000     0.064114   -0.089980   -0.019421
      8.535452  5.690301  0.000000    -0.064114   -0.089980   -0.019421
      2.845151  0.000000  5.690301     0.064114    0.089980    0.019421
      8.535452  0.000000  5.690301    -0.064114    0.089980    0.019421
      2.845151  5.690301  5.690301     0.064114   -0.089980    0.019421
      8.535452  5.690301  5.690301    -0.064114   -0.089980    0.019421
      0.000000  2.845151  0.000000    -0.043963   -0.219049    0.019421
      5.690301  2.845151  0.000000     0.043963   -0.219049    0.019421
      0.000000  8.535452  0.000000    -0.043963    0.219049    0.019421
      5.690301  8.535452  0.000000     0.043963    0.219049    0.019421
      0.000000  2.845151  5.690301    -0.043963   -0.219049   -0.019421
      5.690301  2.845151  5.690301     0.043963   -0.219049   -0.019421
      0.000000  8.535452  5.690301    -0.043963    0.219049   -0.019421
      5.690301  8.535452  5.690301     0.043963    0.219049   -0.019421
      0.000000  0.000000  2.845151     0.043963   -0.089980   -0.000654
      5.690301  0.000000  2.845151    -0.043963   -0.089980   -0.000654
      0.000000  5.690301  2.845151     0.043963    0.089980   -0.000654
      5.690301  5.690301  2.845151    -0.043963    0.089980   -0.000654
      0.000000  0.000000  8.535452     0.043963   -0.089980    0.000654
      5.690301  0.000000  8.535452    -0.043963   -0.089980    0.000654
      0.000000  5.690301  8.535452     0.043963    0.089980    0.000654
      5.690301  5.690301  8.535452    -0.043963    0.089980    0.000654

  99 f  =    3.887126 THz    24.423535 2PiTHz  129.660571 cm-1    16.075868 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151    -0.151571   -0.061218    0.008753
      8.535452  2.845151  2.845151     0.151571   -0.061218    0.008753
      2.845151  8.535452  2.845151    -0.151571    0.061218    0.008753
      8.535452  8.535452  2.845151     0.151571    0.061218    0.008753
      2.845151  2.845151  8.535452    -0.151571   -0.061218   -0.008753
      8.535452  2.845151  8.535452     0.151571   -0.061218   -0.008753
      2.845151  8.535452  8.535452    -0.151571    0.061218   -0.008753
      8.535452  8.535452  8.535452     0.151571    0.061218   -0.008753
      2.845151  0.000000  0.000000     0.151571   -0.050840   -0.124147
      8.535452  0.000000  0.000000    -0.151571   -0.050840   -0.124147
      2.845151  5.690301  0.000000     0.151571    0.050840   -0.124147
      8.535452  5.690301  0.000000    -0.151571    0.050840   -0.124147
      2.845151  0.000000  5.690301     0.151571   -0.050840    0.124147
      8.535452  0.000000  5.690301    -0.151571   -0.050840    0.124147
      2.845151  5.690301  5.690301     0.151571    0.050840    0.124147
      8.535452  5.690301  5.690301    -0.151571    0.050840    0.124147
      0.000000  2.845151  0.000000    -0.133060    0.061218    0.124147
      5.690301  2.845151  0.000000     0.133060    0.061218    0.124147
      0.000000  8.535452  0.000000    -0.133060   -0.061218    0.124147
      5.690301  8.535452  0.000000     0.133060   -0.061218    0.124147
      0.000000  2.845151  5.690301    -0.133060    0.061218   -0.124147
      5.690301  2.845151  5.690301     0.133060    0.061218   -0.124147
      0.000000  8.535452  5.690301    -0.133060   -0.061218   -0.124147
      5.690301  8.535452  5.690301     0.133060   -0.061218   -0.124147
      0.000000  0.000000  2.845151     0.133060    0.050840   -0.008753
      5.690301  0.000000  2.845151    -0.133060    0.050840   -0.008753
      0.000000  5.690301  2.845151     0.133060   -0.050840   -0.008753
      5.690301  5.690301  2.845151    -0.133060   -0.050840   -0.008753
      0.000000  0.000000  8.535452     0.133060    0.050840    0.008753
      5.690301  0.000000  8.535452    -0.133060    0.050840    0.008753
      0.000000  5.690301  8.535452     0.133060   -0.050840    0.008753
      5.690301  5.690301  8.535452    -0.133060   -0.050840    0.008753

 100 f  =    3.887126 THz    24.423535 2PiTHz  129.660571 cm-1    16.075868 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151    -0.172284   -0.024761   -0.002244
      8.535452  2.845151  2.845151     0.172284   -0.024761   -0.002244
      2.845151  8.535452  2.845151    -0.172284    0.024761   -0.002244
      8.535452  8.535452  2.845151     0.172284    0.024761   -0.002244
      2.845151  2.845151  8.535452    -0.172284   -0.024761    0.002244
      8.535452  2.845151  8.535452     0.172284   -0.024761    0.002244
      2.845151  8.535452  8.535452    -0.172284    0.024761    0.002244
      8.535452  8.535452  8.535452     0.172284    0.024761    0.002244
      2.845151  0.000000  0.000000     0.172284   -0.002248    0.173241
      8.535452  0.000000  0.000000    -0.172284   -0.002248    0.173241
      2.845151  5.690301  0.000000     0.172284    0.002248    0.173241
      8.535452  5.690301  0.000000    -0.172284    0.002248    0.173241
      2.845151  0.000000  5.690301     0.172284   -0.002248   -0.173241
      8.535452  0.000000  5.690301    -0.172284   -0.002248   -0.173241
      2.845151  5.690301  5.690301     0.172284    0.002248   -0.173241
      8.535452  5.690301  5.690301    -0.172284    0.002248   -0.173241
      0.000000  2.845151  0.000000     0.046718    0.024761   -0.173241
      5.690301  2.845151  0.000000    -0.046718    0.024761   -0.173241
      0.000000  8.535452  0.000000     0.046718   -0.024761   -0.173241
      5.690301  8.535452  0.000000    -0.046718   -0.024761   -0.173241
      0.000000  2.845151  5.690301     0.046718    0.024761    0.173241
      5.690301  2.845151  5.690301    -0.046718    0.024761    0.173241
      0.000000  8.535452  5.690301     0.046718   -0.024761    0.173241
      5.690301  8.535452  5.690301    -0.046718   -0.024761    0.173241
      0.000000  0.000000  2.845151    -0.046718    0.002248    0.002244
      5.690301  0.000000  2.845151     0.046718    0.002248    0.002244
      0.000000  5.690301  2.845151    -0.046718   -0.002248    0.002244
      5.690301  5.690301  2.845151     0.046718   -0.002248    0.002244
      0.000000  0.000000  8.535452    -0.046718    0.002248   -0.002244
      5.690301  0.000000  8.535452     0.046718    0.002248   -0.002244
      0.000000  5.690301  8.535452    -0.046718   -0.002248   -0.002244
      5.690301  5.690301  8.535452     0.046718   -0.002248   -0.002244

 101 f  =    3.887126 THz    24.423535 2PiTHz  129.660571 cm-1    16.075868 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151     0.003410    0.001243    0.249830
      8.535452  2.845151  2.845151    -0.003410    0.001243    0.249830
      2.845151  8.535452  2.845151     0.003410   -0.001243    0.249830
      8.535452  8.535452  2.845151    -0.003410   -0.001243    0.249830
      2.845151  2.845151  8.535452     0.003410    0.001243   -0.249830
      8.535452  2.845151  8.535452    -0.003410    0.001243   -0.249830
      2.845151  8.535452  8.535452     0.003410   -0.001243   -0.249830
      8.535452  8.535452  8.535452    -0.003410   -0.001243   -0.249830
      2.845151  0.000000  0.000000    -0.003410    0.001875    0.005068
      8.535452  0.000000  0.000000     0.003410    0.001875    0.005068
      2.845151  5.690301  0.000000    -0.003410   -0.001875    0.005068
      8.535452  5.690301  0.000000     0.003410   -0.001875    0.005068
      2.845151  0.000000  5.690301    -0.003410    0.001875   -0.005068
      8.535452  0.000000  5.690301     0.003410    0.001875   -0.005068
      2.845151  5.690301  5.690301    -0.003410   -0.001875   -0.005068
      8.535452  5.690301  5.690301     0.003410   -0.001875   -0.005068
      0.000000  2.845151  0.000000     0.006534   -0.001243   -0.005068
      5.690301  2.845151  0.000000    -0.006534   -0.001243   -0.005068
      0.000000  8.535452  0.000000     0.006534    0.001243   -0.005068
      5.690301  8.535452  0.000000    -0.006534    0.001243   -0.005068
      0.000000  2.845151  5.690301     0.006534   -0.001243    0.005068
      5.690301  2.845151  5.690301    -0.006534   -0.001243    0.005068
      0.000000  8.535452  5.690301     0.006534    0.001243    0.005068
      5.690301  8.535452  5.690301    -0.006534    0.001243    0.005068
      0.000000  0.000000  2.845151    -0.006534   -0.001875   -0.249830
      5.690301  0.000000  2.845151     0.006534   -0.001875   -0.249830
      0.000000  5.690301  2.845151    -0.006534    0.001875   -0.249830
      5.690301  5.690301  2.845151     0.006534    0.001875   -0.249830
      0.000000  0.000000  8.535452    -0.006534   -0.001875    0.249830
      5.690301  0.000000  8.535452     0.006534   -0.001875    0.249830
      0.000000  5.690301  8.535452    -0.006534    0.001875    0.249830
      5.690301  5.690301  8.535452     0.006534    0.001875    0.249830

 102 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.026052    0.016596   -0.114732
      5.690301  0.000000  0.000000    -0.026052   -0.054205   -0.263313
      0.000000  5.690301  0.000000    -0.025286   -0.016596    0.263313
      5.690301  5.690301  0.000000     0.025286    0.054205    0.114732
      0.000000  0.000000  5.690301     0.025286    0.054205    0.114732
      5.690301  0.000000  5.690301    -0.025286   -0.016596    0.263313
      0.000000  5.690301  5.690301    -0.026052   -0.054205   -0.263313
      5.690301  5.690301  5.690301     0.026052    0.016596   -0.114732
      0.000000  2.845151  2.845151    -0.065997   -0.249602    0.021109
      5.690301  2.845151  2.845151     0.065997   -0.128443   -0.058718
      0.000000  8.535452  2.845151    -0.010555    0.249602    0.058718
      5.690301  8.535452  2.845151     0.010555    0.128443   -0.021109
      0.000000  2.845151  8.535452     0.010555    0.128443   -0.021109
      5.690301  2.845151  8.535452    -0.010555    0.249602    0.058718
      0.000000  8.535452  8.535452     0.065997   -0.128443   -0.058718
      5.690301  8.535452  8.535452    -0.065997   -0.249602    0.021109
      2.845151  0.000000  2.845151     0.134870    0.019196    0.087792
      8.535452  0.000000  2.845151    -0.134870   -0.036246    0.087025
      2.845151  5.690301  2.845151     0.013711   -0.019196   -0.087025
      8.535452  5.690301  2.845151    -0.013711    0.036246   -0.087792
      2.845151  0.000000  8.535452    -0.013711    0.036246   -0.087792
      8.535452  0.000000  8.535452     0.013711   -0.019196   -0.087025
      2.845151  5.690301  8.535452    -0.134870   -0.036246    0.087025
      8.535452  5.690301  8.535452     0.134870    0.019196    0.087792
      2.845151  2.845151  0.000000    -0.004513   -0.061740    0.046801
      8.535452  2.845151  0.000000     0.004513   -0.113078   -0.029751
      2.845151  8.535452  0.000000    -0.075314    0.061740    0.029751
      8.535452  8.535452  0.000000     0.075314    0.113078   -0.046801
      2.845151  2.845151  5.690301     0.075314    0.113078   -0.046801
      8.535452  2.845151  5.690301    -0.075314    0.061740    0.029751
      2.845151  8.535452  5.690301     0.004513   -0.113078   -0.029751
      8.535452  8.535452  5.690301    -0.004513   -0.061740    0.046801
      2.845151  2.845151  2.845151    -0.027816    0.041423    0.004671
      8.535452  2.845151  2.845151     0.027816    0.054442    0.004866
      2.845151  8.535452  2.845151    -0.009862   -0.041423   -0.004866
      8.535452  8.535452  2.845151     0.009862   -0.054442   -0.004671
      2.845151  2.845151  8.535452     0.009862   -0.054442   -0.004671
      8.535452  2.845151  8.535452    -0.009862   -0.041423   -0.004866
      2.845151  8.535452  8.535452     0.027816    0.054442    0.004866
      8.535452  8.535452  8.535452    -0.027816    0.041423    0.004671
      2.845151  0.000000  0.000000    -0.005240   -0.002261    0.038226
      8.535452  0.000000  0.000000     0.005240    0.011798    0.057639
      2.845151  5.690301  0.000000     0.025483    0.002261   -0.057639
      8.535452  5.690301  0.000000    -0.025483   -0.011798   -0.038226
      2.845151  0.000000  5.690301    -0.025483   -0.011798   -0.038226
      8.535452  0.000000  5.690301     0.025483    0.002261   -0.057639
      2.845151  5.690301  5.690301     0.005240    0.011798    0.057639
      8.535452  5.690301  5.690301    -0.005240   -0.002261    0.038226
      0.000000  2.845151  0.000000     0.006932    0.037527   -0.021000
      5.690301  2.845151  0.000000    -0.006932    0.006803    0.016677
      0.000000  8.535452  0.000000    -0.007127   -0.037527   -0.016677
      5.690301  8.535452  0.000000     0.007127   -0.006803    0.021000
      0.000000  2.845151  5.690301     0.007127   -0.006803    0.021000
      5.690301  2.845151  5.690301    -0.007127   -0.037527   -0.016677
      0.000000  8.535452  5.690301    -0.006932    0.006803    0.016677
      5.690301  8.535452  5.690301     0.006932    0.037527   -0.021000
      0.000000  0.000000  2.845151     0.003197   -0.006815   -0.032287
      5.690301  0.000000  2.845151    -0.003197    0.011139   -0.012044
      0.000000  5.690301  2.845151     0.016215    0.006815    0.012044
      5.690301  5.690301  2.845151    -0.016215   -0.011139    0.032287
      0.000000  0.000000  8.535452    -0.016215   -0.011139    0.032287
      5.690301  0.000000  8.535452     0.016215    0.006815    0.012044
      0.000000  5.690301  8.535452    -0.003197    0.011139   -0.012044
      5.690301  5.690301  8.535452     0.003197   -0.006815   -0.032287

 103 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.015459    0.072485    0.219768
      5.690301  0.000000  0.000000     0.015459    0.083042   -0.144546
      0.000000  5.690301  0.000000    -0.022907   -0.072485    0.144546
      5.690301  5.690301  0.000000     0.022907   -0.083042   -0.219768
      0.000000  0.000000  5.690301     0.022907   -0.083042   -0.219768
      5.690301  0.000000  5.690301    -0.022907   -0.072485    0.144546
      0.000000  5.690301  5.690301     0.015459    0.083042   -0.144546
      5.690301  5.690301  5.690301    -0.015459    0.072485    0.219768
      0.000000  2.845151  2.845151    -0.012917    0.125466   -0.011664
      5.690301  2.845151  2.845151     0.012917   -0.050244    0.167192
      0.000000  8.535452  2.845151    -0.017018   -0.125466   -0.167192
      5.690301  8.535452  2.845151     0.017018    0.050244    0.011664
      0.000000  2.845151  8.535452     0.017018    0.050244    0.011664
      5.690301  2.845151  8.535452    -0.017018   -0.125466   -0.167192
      0.000000  8.535452  8.535452     0.012917   -0.050244    0.167192
      5.690301  8.535452  8.535452    -0.012917    0.125466   -0.011664
      2.845151  0.000000  2.845151     0.094302   -0.017135    0.019540
      8.535452  0.000000  2.845151    -0.094302   -0.013034    0.057906
      2.845151  5.690301  2.845151     0.270012    0.017135   -0.057906
      8.535452  5.690301  2.845151    -0.270012    0.013034   -0.019540
      2.845151  0.000000  8.535452    -0.270012    0.013034   -0.019540
      8.535452  0.000000  8.535452     0.270012    0.017135   -0.057906
      2.845151  5.690301  8.535452    -0.094302   -0.013034    0.057906
      8.535452  5.690301  8.535452     0.094302   -0.017135    0.019540
      2.845151  2.845151  0.000000     0.084150   -0.034999    0.030052
      8.535452  2.845151  0.000000    -0.084150   -0.042446    0.000117
      2.845151  8.535452  0.000000     0.094706    0.034999   -0.000117
      8.535452  8.535452  0.000000    -0.094706    0.042446   -0.030052
      2.845151  2.845151  5.690301    -0.094706    0.042446   -0.030052
      8.535452  2.845151  5.690301     0.094706    0.034999   -0.000117
      2.845151  8.535452  5.690301    -0.084150   -0.042446    0.000117
      8.535452  8.535452  5.690301     0.084150   -0.034999    0.030052
      2.845151  2.845151  2.845151    -0.044853   -0.010482   -0.014855
      8.535452  2.845151  2.845151     0.044853   -0.008593   -0.024584
      2.845151  8.535452  2.845151    -0.047530    0.010482    0.024584
      8.535452  8.535452  2.845151     0.047530    0.008593    0.014855
      2.845151  2.845151  8.535452     0.047530    0.008593    0.014855
      8.535452  2.845151  8.535452    -0.047530    0.010482    0.024584
      2.845151  8.535452  8.535452     0.044853   -0.008593   -0.024584
      8.535452  8.535452  8.535452    -0.044853   -0.010482   -0.014855
      2.845151  0.000000  0.000000    -0.000399   -0.019199   -0.013333
      8.535452  0.000000  0.000000     0.000399   -0.020239   -0.005742
      2.845151  5.690301  0.000000    -0.044956    0.019199    0.005742
      8.535452  5.690301  0.000000     0.044956    0.020239    0.013333
      2.845151  0.000000  5.690301     0.044956    0.020239    0.013333
      8.535452  0.000000  5.690301    -0.044956    0.019199    0.005742
      2.845151  5.690301  5.690301     0.000399   -0.020239   -0.005742
      8.535452  5.690301  5.690301    -0.000399   -0.019199   -0.013333
      0.000000  2.845151  0.000000     0.004344   -0.012459   -0.050017
      5.690301  2.845151  0.000000    -0.004344    0.032098    0.042366
      0.000000  8.535452  0.000000     0.005384    0.012459   -0.042366
      5.690301  8.535452  0.000000    -0.005384   -0.032098    0.050017
      0.000000  2.845151  5.690301    -0.005384   -0.032098    0.050017
      5.690301  2.845151  5.690301     0.005384    0.012459   -0.042366
      0.000000  8.535452  5.690301    -0.004344    0.032098    0.042366
      5.690301  8.535452  5.690301     0.004344   -0.012459   -0.050017
      0.000000  0.000000  2.845151     0.002851    0.005164    0.012858
      5.690301  0.000000  2.845151    -0.002851    0.002487   -0.032497
      0.000000  5.690301  2.845151     0.004740   -0.005164    0.032497
      5.690301  5.690301  2.845151    -0.004740   -0.002487   -0.012858
      0.000000  0.000000  8.535452    -0.004740   -0.002487   -0.012858
      5.690301  0.000000  8.535452     0.004740   -0.005164    0.032497
      0.000000  5.690301  8.535452    -0.002851    0.002487   -0.032497
      5.690301  5.690301  8.535452     0.002851    0.005164    0.012858

 104 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.128693   -0.013330    0.094235
      5.690301  0.000000  0.000000    -0.128693   -0.136788   -0.048845
      0.000000  5.690301  0.000000    -0.153762    0.013330    0.048845
      5.690301  5.690301  0.000000     0.153762    0.136788   -0.094235
      0.000000  0.000000  5.690301     0.153762    0.136788   -0.094235
      5.690301  0.000000  5.690301    -0.153762    0.013330    0.048845
      0.000000  5.690301  5.690301    -0.128693   -0.136788   -0.048845
      5.690301  5.690301  5.690301     0.128693   -0.013330    0.094235
      0.000000  2.845151  2.845151     0.010969    0.069770    0.012977
      5.690301  2.845151  2.845151    -0.010969   -0.024380   -0.163095
      0.000000  8.535452  2.845151     0.010976   -0.069770    0.163095
      5.690301  8.535452  2.845151    -0.010976    0.024380   -0.012977
      0.000000  2.845151  8.535452    -0.010976    0.024380   -0.012977
      5.690301  2.845151  8.535452     0.010976   -0.069770    0.163095
      0.000000  8.535452  8.535452    -0.010969   -0.024380   -0.163095
      5.690301  8.535452  8.535452     0.010969    0.069770    0.012977
      2.845151  0.000000  2.845151     0.024465    0.073305   -0.102448
      8.535452  0.000000  2.845151    -0.024465    0.073298   -0.077379
      2.845151  5.690301  2.845151     0.118615   -0.073305    0.077379
      8.535452  5.690301  2.845151    -0.118615   -0.073298    0.102448
      2.845151  0.000000  8.535452    -0.118615   -0.073298    0.102448
      8.535452  0.000000  8.535452     0.118615   -0.073305    0.077379
      2.845151  5.690301  8.535452    -0.024465    0.073298   -0.077379
      8.535452  5.690301  8.535452     0.024465    0.073305   -0.102448
      2.845151  2.845151  0.000000    -0.026307    0.231140   -0.084274
      8.535452  2.845151  0.000000     0.026307   -0.051314   -0.062329
      2.845151  8.535452  0.000000    -0.149765   -0.231140    0.062329
      8.535452  8.535452  0.000000     0.149765    0.051314    0.084274
      2.845151  2.845151  5.690301     0.149765    0.051314    0.084274
      8.535452  2.845151  5.690301    -0.149765   -0.231140    0.062329
      2.845151  8.535452  5.690301     0.026307   -0.051314   -0.062329
      8.535452  8.535452  5.690301    -0.026307    0.231140   -0.084274
      2.845151  2.845151  2.845151    -0.033794   -0.041568    0.022212
      8.535452  2.845151  2.845151     0.033794    0.030058    0.015855
      2.845151  8.535452  2.845151    -0.002488    0.041568   -0.015855
      8.535452  8.535452  2.845151     0.002488   -0.030058   -0.022212
      2.845151  2.845151  8.535452     0.002488   -0.030058   -0.022212
      8.535452  2.845151  8.535452    -0.002488    0.041568   -0.015855
      2.845151  8.535452  8.535452     0.033794    0.030058    0.015855
      8.535452  8.535452  8.535452    -0.033794   -0.041568    0.022212
      2.845151  0.000000  0.000000     0.034262    0.019033   -0.002973
      8.535452  0.000000  0.000000    -0.034262    0.019034   -0.008537
      2.845151  5.690301  0.000000     0.010387   -0.019033    0.008537
      8.535452  5.690301  0.000000    -0.010387   -0.019034    0.002973
      2.845151  0.000000  5.690301    -0.010387   -0.019034    0.002973
      8.535452  0.000000  5.690301     0.010387   -0.019033    0.008537
      2.845151  5.690301  5.690301    -0.034262    0.019034   -0.008537
      8.535452  5.690301  5.690301     0.034262    0.019033   -0.002973
      0.000000  2.845151  0.000000     0.003179   -0.034738    0.000447
      5.690301  2.845151  0.000000    -0.003179   -0.010863    0.036729
      0.000000  8.535452  0.000000     0.003178    0.034738   -0.036729
      5.690301  8.535452  0.000000    -0.003178    0.010863   -0.000447
      0.000000  2.845151  5.690301    -0.003178    0.010863   -0.000447
      5.690301  2.845151  5.690301     0.003178    0.034738   -0.036729
      0.000000  8.535452  5.690301    -0.003179   -0.010863    0.036729
      5.690301  8.535452  5.690301     0.003179   -0.034738    0.000447
      0.000000  0.000000  2.845151    -0.038595   -0.034241    0.000476
      5.690301  0.000000  2.845151     0.038595   -0.002935    0.045125
      0.000000  5.690301  2.845151     0.033030    0.034241   -0.045125
      5.690301  5.690301  2.845151    -0.033030    0.002935   -0.000476
      0.000000  0.000000  8.535452    -0.033030    0.002935   -0.000476
      5.690301  0.000000  8.535452     0.033030    0.034241   -0.045125
      0.000000  5.690301  8.535452     0.038595   -0.002935    0.045125
      5.690301  5.690301  8.535452    -0.038595   -0.034241    0.000476

 105 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.042395   -0.134485   -0.061675
      5.690301  0.000000  0.000000     0.042395   -0.041018    0.029287
      0.000000  5.690301  0.000000    -0.184386    0.134485   -0.029287
      5.690301  5.690301  0.000000     0.184386    0.041018    0.061675
      0.000000  0.000000  5.690301     0.184386    0.041018    0.061675
      5.690301  0.000000  5.690301    -0.184386    0.134485   -0.029287
      0.000000  5.690301  5.690301     0.042395   -0.041018    0.029287
      5.690301  5.690301  5.690301    -0.042395   -0.134485   -0.061675
      0.000000  2.845151  2.845151     0.063407    0.027079   -0.173197
      5.690301  2.845151  2.845151    -0.063407   -0.059467   -0.002306
      0.000000  8.535452  2.845151     0.141845   -0.027079    0.002306
      5.690301  8.535452  2.845151    -0.141845    0.059467    0.173197
      0.000000  2.845151  8.535452    -0.141845    0.059467    0.173197
      5.690301  2.845151  8.535452     0.141845   -0.027079    0.002306
      0.000000  8.535452  8.535452    -0.063407   -0.059467   -0.002306
      5.690301  8.535452  8.535452     0.063407    0.027079   -0.173197
      2.845151  0.000000  2.845151    -0.088754    0.046335   -0.027853
      8.535452  0.000000  2.845151     0.088754   -0.032103    0.198928
      2.845151  5.690301  2.845151    -0.002208   -0.046335   -0.198928
      8.535452  5.690301  2.845151     0.002208    0.032103    0.027853
      2.845151  0.000000  8.535452     0.002208    0.032103    0.027853
      8.535452  0.000000  8.535452    -0.002208   -0.046335   -0.198928
      2.845151  5.690301  8.535452     0.088754   -0.032103    0.198928
      8.535452  5.690301  8.535452    -0.088754    0.046335   -0.027853
      2.845151  2.845151  0.000000     0.038712   -0.014541   -0.109742
      8.535452  2.845151  0.000000    -0.038712   -0.156533    0.095510
      2.845151  8.535452  0.000000     0.132179    0.014541   -0.095510
      8.535452  8.535452  0.000000    -0.132179    0.156533    0.109742
      2.845151  2.845151  5.690301    -0.132179    0.156533    0.109742
      8.535452  2.845151  5.690301     0.132179    0.014541   -0.095510
      2.845151  8.535452  5.690301    -0.038712   -0.156533    0.095510
      8.535452  8.535452  5.690301     0.038712   -0.014541   -0.109742
      2.845151  2.845151  2.845151     0.023384   -0.013897    0.051006
      8.535452  2.845151  2.845151    -0.023384    0.022110   -0.006502
      2.845151  8.535452  2.845151    -0.000318    0.013897    0.006502
      8.535452  8.535452  2.845151     0.000318   -0.022110   -0.051006
      2.845151  2.845151  8.535452     0.000318   -0.022110   -0.051006
      8.535452  2.845151  8.535452    -0.000318    0.013897    0.006502
      2.845151  8.535452  8.535452    -0.023384    0.022110   -0.006502
      8.535452  8.535452  8.535452     0.023384   -0.013897    0.051006
      2.845151  0.000000  0.000000    -0.010694    0.012307    0.030130
      8.535452  0.000000  0.000000     0.010694    0.032197   -0.021918
      2.845151  5.690301  0.000000    -0.032641   -0.012307    0.021918
      8.535452  5.690301  0.000000     0.032641   -0.032197   -0.030130
      2.845151  0.000000  5.690301     0.032641   -0.032197   -0.030130
      8.535452  0.000000  5.690301    -0.032641   -0.012307    0.021918
      2.845151  5.690301  5.690301     0.010694    0.032197   -0.021918
      8.535452  5.690301  5.690301    -0.010694    0.012307    0.030130
      0.000000  2.845151  0.000000     0.038699    0.010717    0.013338
      5.690301  2.845151  0.000000    -0.038699    0.032664   -0.009729
      0.000000  8.535452  0.000000     0.018809   -0.010717    0.009729
      5.690301  8.535452  0.000000    -0.018809   -0.032664   -0.013338
      0.000000  2.845151  5.690301    -0.018809   -0.032664   -0.013338
      5.690301  2.845151  5.690301     0.018809   -0.010717    0.009729
      0.000000  8.535452  5.690301    -0.038699    0.032664   -0.009729
      5.690301  8.535452  5.690301     0.038699    0.010717    0.013338
      0.000000  0.000000  2.845151    -0.044027    0.010046   -0.000023
      5.690301  0.000000  2.845151     0.044027   -0.013655   -0.043358
      0.000000  5.690301  2.845151    -0.008021   -0.010046    0.043358
      5.690301  5.690301  2.845151     0.008021    0.013655    0.000023
      0.000000  0.000000  8.535452     0.008021    0.013655    0.000023
      5.690301  0.000000  8.535452    -0.008021   -0.010046    0.043358
      0.000000  5.690301  8.535452     0.044027   -0.013655   -0.043358
      5.690301  5.690301  8.535452    -0.044027    0.010046   -0.000023

 106 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.147727    0.180128   -0.028269
      5.690301  0.000000  0.000000     0.147727   -0.064758   -0.004151
      0.000000  5.690301  0.000000    -0.061902   -0.180128    0.004151
      5.690301  5.690301  0.000000     0.061902    0.064758    0.028269
      0.000000  0.000000  5.690301     0.061902    0.064758    0.028269
      5.690301  0.000000  5.690301    -0.061902   -0.180128    0.004151
      0.000000  5.690301  5.690301     0.147727   -0.064758   -0.004151
      5.690301  5.690301  5.690301    -0.147727    0.180128   -0.028269
      0.000000  2.845151  2.845151     0.001312    0.015707    0.105869
      5.690301  2.845151  2.845151    -0.001312   -0.048127    0.009500
      0.000000  8.535452  2.845151     0.127792   -0.015707   -0.009500
      5.690301  8.535452  2.845151    -0.127792    0.048127   -0.105869
      0.000000  2.845151  8.535452    -0.127792    0.048127   -0.105869
      5.690301  2.845151  8.535452     0.127792   -0.015707   -0.009500
      0.000000  8.535452  8.535452    -0.001312   -0.048127    0.009500
      5.690301  8.535452  8.535452     0.001312    0.015707    0.105869
      2.845151  0.000000  2.845151    -0.043976   -0.050724   -0.156524
      8.535452  0.000000  2.845151     0.043976   -0.177204    0.053105
      2.845151  5.690301  2.845151     0.019858    0.050724   -0.053105
      8.535452  5.690301  2.845151    -0.019858    0.177204    0.156524
      2.845151  0.000000  8.535452    -0.019858    0.177204    0.156524
      8.535452  0.000000  8.535452     0.019858    0.050724   -0.053105
      2.845151  5.690301  8.535452     0.043976   -0.177204    0.053105
      8.535452  5.690301  8.535452    -0.043976   -0.050724   -0.156524
      2.845151  2.845151  0.000000     0.074258    0.008797    0.049412
      8.535452  2.845151  0.000000    -0.074258    0.094622    0.178516
      2.845151  8.535452  0.000000    -0.170627   -0.008797   -0.178516
      8.535452  8.535452  0.000000     0.170627   -0.094622   -0.049412
      2.845151  2.845151  5.690301     0.170627   -0.094622   -0.049412
      8.535452  2.845151  5.690301    -0.170627   -0.008797   -0.178516
      2.845151  8.535452  5.690301    -0.074258    0.094622    0.178516
      8.535452  8.535452  5.690301     0.074258    0.008797    0.049412
      2.845151  2.845151  2.845151    -0.027991    0.014992    0.011951
      8.535452  2.845151  2.845151     0.027991   -0.006771   -0.041207
      2.845151  8.535452  2.845151     0.034107   -0.014992    0.041207
      8.535452  8.535452  2.845151    -0.034107    0.006771   -0.011951
      2.845151  2.845151  8.535452    -0.034107    0.006771   -0.011951
      8.535452  2.845151  8.535452     0.034107   -0.014992    0.041207
      2.845151  8.535452  8.535452     0.027991   -0.006771   -0.041207
      8.535452  8.535452  8.535452    -0.027991    0.014992    0.011951
      2.845151  0.000000  0.000000     0.020312   -0.030664    0.020480
      8.535452  0.000000  0.000000    -0.020312    0.001409   -0.012259
      2.845151  5.690301  0.000000     0.004125    0.030664    0.012259
      8.535452  5.690301  0.000000    -0.004125   -0.001409   -0.020480
      2.845151  0.000000  5.690301    -0.004125   -0.001409   -0.020480
      8.535452  0.000000  5.690301     0.004125    0.030664    0.012259
      2.845151  5.690301  5.690301    -0.020312    0.001409   -0.012259
      8.535452  5.690301  5.690301     0.020312   -0.030664    0.020480
      0.000000  2.845151  0.000000     0.042615   -0.021206   -0.025841
      5.690301  2.845151  0.000000    -0.042615   -0.005019   -0.031957
      0.000000  8.535452  0.000000     0.010543    0.021206    0.031957
      5.690301  8.535452  0.000000    -0.010543    0.005019    0.025841
      0.000000  2.845151  5.690301    -0.010543    0.005019    0.025841
      5.690301  2.845151  5.690301     0.010543    0.021206    0.031957
      0.000000  8.535452  5.690301    -0.042615   -0.005019   -0.031957
      5.690301  8.535452  5.690301     0.042615   -0.021206   -0.025841
      0.000000  0.000000  2.845151    -0.005487   -0.002150    0.000894
      5.690301  0.000000  2.845151     0.005487    0.059948    0.025331
      0.000000  5.690301  2.845151    -0.027251    0.002150   -0.025331
      5.690301  5.690301  2.845151     0.027251   -0.059948   -0.000894
      0.000000  0.000000  8.535452     0.027251   -0.059948   -0.000894
      5.690301  0.000000  8.535452    -0.027251    0.002150   -0.025331
      0.000000  5.690301  8.535452     0.005487    0.059948    0.025331
      5.690301  5.690301  8.535452    -0.005487   -0.002150    0.000894

 107 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.007667   -0.011048   -0.057849
      5.690301  0.000000  0.000000    -0.007667   -0.038870   -0.081181
      0.000000  5.690301  0.000000    -0.011462    0.011048    0.081181
      5.690301  5.690301  0.000000     0.011462    0.038870    0.057849
      0.000000  0.000000  5.690301     0.011462    0.038870    0.057849
      5.690301  0.000000  5.690301    -0.011462    0.011048    0.081181
      0.000000  5.690301  5.690301    -0.007667   -0.038870   -0.081181
      5.690301  5.690301  5.690301     0.007667   -0.011048   -0.057849
      0.000000  2.845151  2.845151    -0.016821   -0.134947   -0.181654
      5.690301  2.845151  2.845151     0.016821   -0.004084    0.131736
      0.000000  8.535452  2.845151     0.002601    0.134947   -0.131736
      5.690301  8.535452  2.845151    -0.002601    0.004084    0.181654
      0.000000  2.845151  8.535452    -0.002601    0.004084    0.181654
      5.690301  2.845151  8.535452     0.002601    0.134947   -0.131736
      0.000000  8.535452  8.535452     0.016821   -0.004084    0.131736
      5.690301  8.535452  8.535452    -0.016821   -0.134947   -0.181654
      2.845151  0.000000  2.845151     0.077097    0.005676   -0.156326
      8.535452  0.000000  2.845151    -0.077097   -0.013746   -0.152531
      2.845151  5.690301  2.845151    -0.053766   -0.005676    0.152531
      8.535452  5.690301  2.845151     0.053766    0.013746    0.156326
      2.845151  0.000000  8.535452     0.053766    0.013746    0.156326
      8.535452  0.000000  8.535452    -0.053766   -0.005676    0.152531
      2.845151  5.690301  8.535452    -0.077097   -0.013746   -0.152531
      8.535452  5.690301  8.535452     0.077097    0.005676   -0.156326
      2.845151  2.845151  0.000000     0.170606    0.163993    0.011145
      8.535452  2.845151  0.000000    -0.170606    0.144864   -0.003075
      2.845151  8.535452  0.000000     0.142784   -0.163993    0.003075
      8.535452  8.535452  0.000000    -0.142784   -0.144864   -0.011145
      2.845151  2.845151  5.690301    -0.142784   -0.144864   -0.011145
      8.535452  2.845151  5.690301     0.142784   -0.163993    0.003075
      2.845151  8.535452  5.690301    -0.170606    0.144864   -0.003075
      8.535452  8.535452  5.690301     0.170606    0.163993    0.011145
      2.845151  2.845151  2.845151    -0.006486    0.015202    0.006810
      8.535452  2.845151  2.845151     0.006486    0.020053    0.005848
      2.845151  8.535452  2.845151     0.000569   -0.015202   -0.005848
      8.535452  8.535452  2.845151    -0.000569   -0.020053   -0.006810
      2.845151  2.845151  8.535452    -0.000569   -0.020053   -0.006810
      8.535452  2.845151  8.535452     0.000569   -0.015202   -0.005848
      2.845151  8.535452  8.535452     0.006486    0.020053    0.005848
      8.535452  8.535452  8.535452    -0.006486    0.015202    0.006810
      2.845151  0.000000  0.000000    -0.056327    0.003867    0.015825
      8.535452  0.000000  0.000000     0.056327    0.008792    0.019431
      2.845151  5.690301  0.000000    -0.023143   -0.003867   -0.019431
      8.535452  5.690301  0.000000     0.023143   -0.008792   -0.015825
      2.845151  0.000000  5.690301     0.023143   -0.008792   -0.015825
      8.535452  0.000000  5.690301    -0.023143   -0.003867   -0.019431
      2.845151  5.690301  5.690301     0.056327    0.008792    0.019431
      8.535452  5.690301  5.690301    -0.056327    0.003867    0.015825
      0.000000  2.845151  0.000000     0.002944   -0.022568   -0.003981
      5.690301  2.845151  0.000000    -0.002944   -0.055752    0.001935
      0.000000  8.535452  0.000000    -0.001981    0.022568   -0.001935
      5.690301  8.535452  0.000000     0.001981    0.055752    0.003981
      0.000000  2.845151  5.690301     0.001981    0.055752    0.003981
      5.690301  2.845151  5.690301    -0.001981    0.022568   -0.001935
      0.000000  8.535452  5.690301    -0.002944   -0.055752    0.001935
      5.690301  8.535452  5.690301     0.002944   -0.022568   -0.003981
      0.000000  0.000000  2.845151    -0.000622   -0.002504    0.078895
      5.690301  0.000000  2.845151     0.000622    0.004551   -0.000575
      0.000000  5.690301  2.845151     0.004228    0.002504    0.000575
      5.690301  5.690301  2.845151    -0.004228   -0.004551   -0.078895
      0.000000  0.000000  8.535452    -0.004228   -0.004551   -0.078895
      5.690301  0.000000  8.535452     0.004228    0.002504    0.000575
      0.000000  5.690301  8.535452     0.000622    0.004551   -0.000575
      5.690301  5.690301  8.535452    -0.000622   -0.002504    0.078895

 108 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.008549    0.024326    0.039786
      5.690301  0.000000  0.000000     0.008549    0.001597    0.076065
      0.000000  5.690301  0.000000    -0.032563   -0.024326   -0.076065
      5.690301  5.690301  0.000000     0.032563   -0.001597   -0.039786
      0.000000  0.000000  5.690301     0.032563   -0.001597   -0.039786
      5.690301  0.000000  5.690301    -0.032563   -0.024326   -0.076065
      0.000000  5.690301  5.690301     0.008549    0.001597    0.076065
      5.690301  5.690301  5.690301    -0.008549    0.024326    0.039786
      0.000000  2.845151  2.845151    -0.302986    0.026984   -0.002559
      5.690301  2.845151  2.845151     0.302986    0.088867    0.028481
      0.000000  8.535452  2.845151     0.089820   -0.026984   -0.028481
      5.690301  8.535452  2.845151    -0.089820   -0.088867    0.002559
      0.000000  2.845151  8.535452    -0.089820   -0.088867    0.002559
      5.690301  2.845151  8.535452     0.089820   -0.026984   -0.028481
      0.000000  8.535452  8.535452     0.302986    0.088867    0.028481
      5.690301  8.535452  8.535452    -0.302986    0.026984   -0.002559
      2.845151  0.000000  2.845151     0.012802    0.248811   -0.003330
      8.535452  0.000000  2.845151    -0.012802   -0.143996    0.037782
      2.845151  5.690301  2.845151    -0.049081   -0.248811   -0.037782
      8.535452  5.690301  2.845151     0.049081    0.143996    0.003330
      2.845151  0.000000  8.535452     0.049081    0.143996    0.003330
      8.535452  0.000000  8.535452    -0.049081   -0.248811   -0.037782
      2.845151  5.690301  8.535452    -0.012802   -0.143996    0.037782
      8.535452  5.690301  8.535452     0.012802    0.248811   -0.003330
      2.845151  2.845151  0.000000     0.026885   -0.005219    0.054175
      8.535452  2.845151  0.000000    -0.026885   -0.029233   -0.158990
      2.845151  8.535452  0.000000     0.004156    0.005219    0.158990
      8.535452  8.535452  0.000000    -0.004156    0.029233   -0.054175
      2.845151  2.845151  5.690301    -0.004156    0.029233   -0.054175
      8.535452  2.845151  5.690301     0.004156    0.005219    0.158990
      2.845151  8.535452  5.690301    -0.026885   -0.029233   -0.158990
      8.535452  8.535452  5.690301     0.026885   -0.005219    0.054175
      2.845151  2.845151  2.845151     0.001718   -0.017734    0.001926
      8.535452  2.845151  2.845151    -0.001718   -0.011644   -0.008499
      2.845151  8.535452  2.845151     0.007482    0.017734    0.008499
      8.535452  8.535452  2.845151    -0.007482    0.011644   -0.001926
      2.845151  2.845151  8.535452    -0.007482    0.011644   -0.001926
      8.535452  2.845151  8.535452     0.007482    0.017734    0.008499
      2.845151  8.535452  8.535452    -0.001718   -0.011644   -0.008499
      8.535452  8.535452  8.535452     0.001718   -0.017734    0.001926
      2.845151  0.000000  0.000000    -0.011782   -0.053091   -0.041716
      8.535452  0.000000  0.000000     0.011782    0.046517    0.012339
      2.845151  5.690301  0.000000     0.003911    0.053091   -0.012339
      8.535452  5.690301  0.000000    -0.003911   -0.046517    0.041716
      2.845151  0.000000  5.690301    -0.003911   -0.046517    0.041716
      8.535452  0.000000  5.690301     0.003911    0.053091   -0.012339
      2.845151  5.690301  5.690301     0.011782    0.046517    0.012339
      8.535452  5.690301  5.690301    -0.011782   -0.053091   -0.041716
      0.000000  2.845151  0.000000     0.055017    0.012214    0.017889
      5.690301  2.845151  0.000000    -0.055017   -0.003478    0.008690
      0.000000  8.535452  0.000000    -0.044591   -0.012214   -0.008690
      5.690301  8.535452  0.000000     0.044591    0.003478   -0.017889
      0.000000  2.845151  5.690301     0.044591    0.003478   -0.017889
      5.690301  2.845151  5.690301    -0.044591   -0.012214   -0.008690
      0.000000  8.535452  5.690301    -0.055017   -0.003478    0.008690
      5.690301  8.535452  5.690301     0.055017    0.012214    0.017889
      0.000000  0.000000  2.845151     0.023983   -0.016171   -0.000433
      5.690301  0.000000  2.845151    -0.023983   -0.010408   -0.008304
      0.000000  5.690301  2.845151     0.030072    0.016171    0.008304
      5.690301  5.690301  2.845151    -0.030072    0.010408    0.000433
      0.000000  0.000000  8.535452    -0.030072    0.010408    0.000433
      5.690301  0.000000  8.535452     0.030072    0.016171    0.008304
      0.000000  5.690301  8.535452    -0.023983   -0.010408   -0.008304
      5.690301  5.690301  8.535452     0.023983   -0.016171   -0.000433

 109 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.055635    0.055855   -0.148462
      5.690301  0.000000  0.000000     0.055635    0.190718   -0.044960
      0.000000  5.690301  0.000000    -0.049003   -0.055855    0.044960
      5.690301  5.690301  0.000000     0.049003   -0.190718    0.148462
      0.000000  0.000000  5.690301     0.049003   -0.190718    0.148462
      5.690301  0.000000  5.690301    -0.049003   -0.055855    0.044960
      0.000000  5.690301  5.690301     0.055635    0.190718   -0.044960
      5.690301  5.690301  5.690301    -0.055635    0.055855   -0.148462
      0.000000  2.845151  2.845151    -0.005722   -0.007567    0.146625
      5.690301  2.845151  2.845151     0.005722   -0.185856    0.099949
      0.000000  8.535452  2.845151    -0.002303    0.007567   -0.099949
      5.690301  8.535452  2.845151     0.002303    0.185856   -0.146625
      0.000000  2.845151  8.535452     0.002303    0.185856   -0.146625
      5.690301  2.845151  8.535452    -0.002303    0.007567   -0.099949
      0.000000  8.535452  8.535452     0.005722   -0.185856    0.099949
      5.690301  8.535452  8.535452    -0.005722   -0.007567    0.146625
      2.845151  0.000000  2.845151    -0.140895    0.116503   -0.102415
      8.535452  0.000000  2.845151     0.140895    0.113085    0.002223
      2.845151  5.690301  2.845151     0.037394   -0.116503   -0.002223
      8.535452  5.690301  2.845151    -0.037394   -0.113085    0.102415
      2.845151  0.000000  8.535452    -0.037394   -0.113085    0.102415
      8.535452  0.000000  8.535452     0.037394   -0.116503   -0.002223
      2.845151  5.690301  8.535452     0.140895    0.113085    0.002223
      8.535452  5.690301  8.535452    -0.140895    0.116503   -0.102415
      2.845151  2.845151  0.000000    -0.090770    0.046780   -0.110781
      8.535452  2.845151  0.000000     0.090770    0.053413   -0.118807
      2.845151  8.535452  0.000000     0.044094   -0.046780    0.118807
      8.535452  8.535452  0.000000    -0.044094   -0.053413    0.110781
      2.845151  2.845151  5.690301    -0.044094   -0.053413    0.110781
      8.535452  2.845151  5.690301     0.044094   -0.046780    0.118807
      2.845151  8.535452  5.690301     0.090770    0.053413   -0.118807
      8.535452  8.535452  5.690301    -0.090770    0.046780   -0.110781
      2.845151  2.845151  2.845151     0.030222    0.025365   -0.017996
      8.535452  2.845151  2.845151    -0.030222    0.023683   -0.044530
      2.845151  8.535452  2.845151    -0.003976   -0.025365    0.044530
      8.535452  8.535452  2.845151     0.003976   -0.023683    0.017996
      2.845151  2.845151  8.535452     0.003976   -0.023683    0.017996
      8.535452  2.845151  8.535452    -0.003976   -0.025365    0.044530
      2.845151  8.535452  8.535452    -0.030222    0.023683   -0.044530
      8.535452  8.535452  8.535452     0.030222    0.025365   -0.017996
      2.845151  0.000000  0.000000     0.028523   -0.031697    0.023507
      8.535452  0.000000  0.000000    -0.028523   -0.030830    0.025542
      2.845151  5.690301  0.000000    -0.016687    0.031697   -0.025542
      8.535452  5.690301  0.000000     0.016687    0.030830   -0.023507
      2.845151  0.000000  5.690301     0.016687    0.030830   -0.023507
      8.535452  0.000000  5.690301    -0.016687    0.031697   -0.025542
      2.845151  5.690301  5.690301    -0.028523   -0.030830    0.025542
      8.535452  5.690301  5.690301     0.028523   -0.031697    0.023507
      0.000000  2.845151  0.000000     0.013701   -0.035309    0.042233
      5.690301  2.845151  0.000000    -0.013701    0.009902    0.015987
      0.000000  8.535452  0.000000     0.012834    0.035309   -0.015987
      5.690301  8.535452  0.000000    -0.012834   -0.009902   -0.042233
      0.000000  2.845151  5.690301    -0.012834   -0.009902   -0.042233
      5.690301  2.845151  5.690301     0.012834    0.035309   -0.015987
      0.000000  8.535452  5.690301    -0.013701    0.009902    0.015987
      5.690301  8.535452  5.690301     0.013701   -0.035309    0.042233
      0.000000  0.000000  2.845151     0.001858   -0.012010    0.006785
      5.690301  0.000000  2.845151    -0.001858   -0.046209    0.018622
      0.000000  5.690301  2.845151     0.000177    0.012010   -0.018622
      5.690301  5.690301  2.845151    -0.000177    0.046209   -0.006785
      0.000000  0.000000  8.535452    -0.000177    0.046209   -0.006785
      5.690301  0.000000  8.535452     0.000177    0.012010   -0.018622
      0.000000  5.690301  8.535452    -0.001858   -0.046209    0.018622
      5.690301  5.690301  8.535452     0.001858   -0.012010    0.006785

 110 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.180061   -0.177447    0.049607
      5.690301  0.000000  0.000000     0.180061   -0.065230   -0.085942
      0.000000  5.690301  0.000000     0.143387    0.177447    0.085942
      5.690301  5.690301  0.000000    -0.143387    0.065230   -0.049607
      0.000000  0.000000  5.690301    -0.143387    0.065230   -0.049607
      5.690301  0.000000  5.690301     0.143387    0.177447    0.085942
      0.000000  5.690301  5.690301     0.180061   -0.065230   -0.085942
      5.690301  5.690301  5.690301    -0.180061   -0.177447    0.049607
      0.000000  2.845151  2.845151    -0.025992    0.027432   -0.080044
      5.690301  2.845151  2.845151     0.025992   -0.063767   -0.162633
      0.000000  8.535452  2.845151     0.065438   -0.027432    0.162633
      5.690301  8.535452  2.845151    -0.065438    0.063767    0.080044
      0.000000  2.845151  8.535452    -0.065438    0.063767    0.080044
      5.690301  2.845151  8.535452     0.065438   -0.027432    0.162633
      0.000000  8.535452  8.535452     0.025992   -0.063767   -0.162633
      5.690301  8.535452  8.535452    -0.025992    0.027432   -0.080044
      2.845151  0.000000  2.845151     0.022175    0.083091   -0.060504
      8.535452  0.000000  2.845151    -0.022175   -0.008339   -0.023830
      2.845151  5.690301  2.845151     0.113374   -0.083091    0.023830
      8.535452  5.690301  2.845151    -0.113374    0.008339    0.060504
      2.845151  0.000000  8.535452    -0.113374    0.008339    0.060504
      8.535452  0.000000  8.535452     0.113374   -0.083091    0.023830
      2.845151  5.690301  8.535452    -0.022175   -0.008339   -0.023830
      8.535452  5.690301  8.535452     0.022175    0.083091   -0.060504
      2.845151  2.845151  0.000000    -0.097403   -0.119557   -0.057099
      8.535452  2.845151  0.000000     0.097403    0.203891   -0.017652
      2.845151  8.535452  0.000000     0.014814    0.119557    0.017652
      8.535452  8.535452  0.000000    -0.014814   -0.203891    0.057099
      2.845151  2.845151  5.690301    -0.014814   -0.203891    0.057099
      8.535452  2.845151  5.690301     0.014814    0.119557    0.017652
      2.845151  8.535452  5.690301     0.097403    0.203891   -0.017652
      8.535452  8.535452  5.690301    -0.097403   -0.119557   -0.057099
      2.845151  2.845151  2.845151    -0.002958    0.045617    0.035419
      8.535452  2.845151  2.845151     0.002958   -0.036403    0.026119
      2.845151  8.535452  2.845151    -0.031414   -0.045617   -0.026119
      8.535452  8.535452  2.845151     0.031414    0.036403   -0.035419
      2.845151  2.845151  8.535452     0.031414    0.036403   -0.035419
      8.535452  2.845151  8.535452    -0.031414   -0.045617   -0.026119
      2.845151  8.535452  8.535452     0.002958   -0.036403    0.026119
      8.535452  8.535452  8.535452    -0.002958    0.045617    0.035419
      2.845151  0.000000  0.000000     0.022035    0.019177    0.009609
      8.535452  0.000000  0.000000    -0.022035    0.042362   -0.000394
      2.845151  5.690301  0.000000    -0.001092   -0.019177    0.000394
      8.535452  5.690301  0.000000     0.001092   -0.042362   -0.009609
      2.845151  0.000000  5.690301     0.001092   -0.042362   -0.009609
      8.535452  0.000000  5.690301    -0.001092   -0.019177    0.000394
      2.845151  5.690301  5.690301    -0.022035    0.042362   -0.000394
      8.535452  5.690301  5.690301     0.022035    0.019177    0.009609
      0.000000  2.845151  0.000000     0.016242   -0.022256   -0.007709
      5.690301  2.845151  0.000000    -0.016242    0.000870    0.026664
      0.000000  8.535452  0.000000    -0.006943    0.022256   -0.026664
      5.690301  8.535452  0.000000     0.006943   -0.000870    0.007709
      0.000000  2.845151  5.690301     0.006943   -0.000870    0.007709
      5.690301  2.845151  5.690301    -0.006943    0.022256   -0.026664
      0.000000  8.535452  5.690301    -0.016242    0.000870    0.026664
      5.690301  8.535452  5.690301     0.016242   -0.022256   -0.007709
      0.000000  0.000000  2.845151     0.036009    0.004750    0.000221
      5.690301  0.000000  2.845151    -0.036009   -0.023706    0.021164
      0.000000  5.690301  2.845151    -0.046012   -0.004750   -0.021164
      5.690301  5.690301  2.845151     0.046012    0.023706   -0.000221
      0.000000  0.000000  8.535452     0.046012    0.023706   -0.000221
      5.690301  0.000000  8.535452    -0.046012   -0.004750   -0.021164
      0.000000  5.690301  8.535452    -0.036009   -0.023706    0.021164
      5.690301  5.690301  8.535452     0.036009    0.004750    0.000221

 111 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.107806   -0.001466   -0.114073
      5.690301  0.000000  0.000000    -0.107806   -0.106247    0.017121
      0.000000  5.690301  0.000000     0.093005    0.001466   -0.017121
      5.690301  5.690301  0.000000    -0.093005    0.106247    0.114073
      0.000000  0.000000  5.690301    -0.093005    0.106247    0.114073
      5.690301  0.000000  5.690301     0.093005    0.001466   -0.017121
      0.000000  5.690301  5.690301    -0.107806   -0.106247    0.017121
      5.690301  5.690301  5.690301     0.107806   -0.001466   -0.114073
      0.000000  2.845151  2.845151    -0.085463    0.115408   -0.094996
      5.690301  2.845151  2.845151     0.085463   -0.212361   -0.012716
      0.000000  8.535452  2.845151    -0.047092   -0.115408    0.012716
      5.690301  8.535452  2.845151     0.047092    0.212361    0.094996
      0.000000  2.845151  8.535452     0.047092    0.212361    0.094996
      5.690301  2.845151  8.535452    -0.047092   -0.115408    0.012716
      0.000000  8.535452  8.535452     0.085463   -0.212361   -0.012716
      5.690301  8.535452  8.535452    -0.085463    0.115408   -0.094996
      2.845151  0.000000  2.845151    -0.229481   -0.034871    0.107896
      8.535452  0.000000  2.845151     0.229481   -0.073242   -0.092915
      2.845151  5.690301  2.845151     0.098287    0.034871    0.092915
      8.535452  5.690301  2.845151    -0.098287    0.073242   -0.107896
      2.845151  0.000000  8.535452    -0.098287    0.073242   -0.107896
      8.535452  0.000000  8.535452     0.098287    0.034871    0.092915
      2.845151  5.690301  8.535452     0.229481   -0.073242   -0.092915
      8.535452  5.690301  8.535452    -0.229481   -0.034871    0.107896
      2.845151  2.845151  0.000000     0.093531   -0.000090    0.120334
      8.535452  2.845151  0.000000    -0.093531   -0.014891   -0.012221
      2.845151  8.535452  0.000000    -0.011251    0.000090    0.012221
      8.535452  8.535452  0.000000     0.011251    0.014891   -0.120334
      2.845151  2.845151  5.690301     0.011251    0.014891   -0.120334
      8.535452  2.845151  5.690301    -0.011251    0.000090    0.012221
      2.845151  8.535452  5.690301    -0.093531   -0.014891   -0.012221
      8.535452  8.535452  5.690301     0.093531   -0.000090    0.120334
      2.845151  2.845151  2.845151     0.003349    0.010416   -0.011804
      8.535452  2.845151  2.845151    -0.003349    0.014169    0.039118
      2.845151  8.535452  2.845151     0.029919   -0.010416   -0.039118
      8.535452  8.535452  2.845151    -0.029919   -0.014169    0.011804
      2.845151  2.845151  8.535452    -0.029919   -0.014169    0.011804
      8.535452  2.845151  8.535452     0.029919   -0.010416   -0.039118
      2.845151  8.535452  8.535452    -0.003349    0.014169    0.039118
      8.535452  8.535452  8.535452     0.003349    0.010416   -0.011804
      2.845151  0.000000  0.000000     0.031126    0.008792   -0.004514
      8.535452  0.000000  0.000000    -0.031126    0.018522    0.029099
      2.845151  5.690301  0.000000    -0.051990   -0.008792   -0.029099
      8.535452  5.690301  0.000000     0.051990   -0.018522    0.004514
      2.845151  0.000000  5.690301     0.051990   -0.018522    0.004514
      8.535452  0.000000  5.690301    -0.051990   -0.008792   -0.029099
      2.845151  5.690301  5.690301    -0.031126    0.018522    0.029099
      8.535452  5.690301  5.690301     0.031126    0.008792   -0.004514
      0.000000  2.845151  0.000000    -0.020596   -0.039658    0.002926
      5.690301  2.845151  0.000000     0.020596    0.043457   -0.030342
      0.000000  8.535452  0.000000    -0.030326    0.039658    0.030342
      5.690301  8.535452  0.000000     0.030326   -0.043457   -0.002926
      0.000000  2.845151  5.690301     0.030326   -0.043457   -0.002926
      5.690301  2.845151  5.690301    -0.030326    0.039658    0.030342
      0.000000  8.535452  5.690301     0.020596    0.043457   -0.030342
      5.690301  8.535452  5.690301    -0.020596   -0.039658    0.002926
      0.000000  0.000000  2.845151     0.014930    0.000423    0.008533
      5.690301  0.000000  2.845151    -0.014930    0.026993   -0.012332
      0.000000  5.690301  2.845151     0.018683   -0.000423    0.012332
      5.690301  5.690301  2.845151    -0.018683   -0.026993   -0.008533
      0.000000  0.000000  8.535452    -0.018683   -0.026993   -0.008533
      5.690301  0.000000  8.535452     0.018683   -0.000423    0.012332
      0.000000  5.690301  8.535452    -0.014930    0.026993   -0.012332
      5.690301  5.690301  8.535452     0.014930    0.000423    0.008533

 112 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.086165    0.121377    0.001233
      5.690301  0.000000  0.000000    -0.086165   -0.052185   -0.008782
      0.000000  5.690301  0.000000     0.146565   -0.121377    0.008782
      5.690301  5.690301  0.000000    -0.146565    0.052185   -0.001233
      0.000000  0.000000  5.690301    -0.146565    0.052185   -0.001233
      5.690301  0.000000  5.690301     0.146565   -0.121377    0.008782
      0.000000  5.690301  5.690301    -0.086165   -0.052185   -0.008782
      5.690301  5.690301  5.690301     0.086165    0.121377    0.001233
      0.000000  2.845151  2.845151     0.090821   -0.014036    0.003433
      5.690301  2.845151  2.845151    -0.090821    0.006488    0.065760
      0.000000  8.535452  2.845151     0.199391    0.014036   -0.065760
      5.690301  8.535452  2.845151    -0.199391   -0.006488   -0.003433
      0.000000  2.845151  8.535452    -0.199391   -0.006488   -0.003433
      5.690301  2.845151  8.535452     0.199391    0.014036   -0.065760
      0.000000  8.535452  8.535452    -0.090821    0.006488    0.065760
      5.690301  8.535452  8.535452     0.090821   -0.014036    0.003433
      2.845151  0.000000  2.845151     0.015269    0.151515    0.147528
      8.535452  0.000000  2.845151    -0.015269    0.042945   -0.085201
      2.845151  5.690301  2.845151    -0.005254   -0.151515    0.085201
      8.535452  5.690301  2.845151     0.005254   -0.042945   -0.147528
      2.845151  0.000000  8.535452     0.005254   -0.042945   -0.147528
      8.535452  0.000000  8.535452    -0.005254   -0.151515    0.085201
      2.845151  5.690301  8.535452    -0.015269    0.042945   -0.085201
      8.535452  5.690301  8.535452     0.015269    0.151515    0.147528
      2.845151  2.845151  0.000000     0.117945   -0.061364   -0.242336
      8.535452  2.845151  0.000000    -0.117945   -0.000963    0.047876
      2.845151  8.535452  0.000000    -0.055618    0.061364   -0.047876
      8.535452  8.535452  0.000000     0.055618    0.000963    0.242336
      2.845151  2.845151  5.690301     0.055618    0.000963    0.242336
      8.535452  2.845151  5.690301    -0.055618    0.061364   -0.047876
      2.845151  8.535452  5.690301    -0.117945   -0.000963    0.047876
      8.535452  8.535452  5.690301     0.117945   -0.061364   -0.242336
      2.845151  2.845151  2.845151    -0.023276    0.008615   -0.038281
      8.535452  2.845151  2.845151     0.023276   -0.006701    0.020735
      2.845151  8.535452  2.845151     0.020736   -0.008615   -0.020735
      8.535452  8.535452  2.845151    -0.020736    0.006701    0.038281
      2.845151  2.845151  8.535452    -0.020736    0.006701    0.038281
      8.535452  2.845151  8.535452     0.020736   -0.008615   -0.020735
      2.845151  8.535452  8.535452     0.023276   -0.006701    0.020735
      8.535452  8.535452  8.535452    -0.023276    0.008615   -0.038281
      2.845151  0.000000  0.000000    -0.010505   -0.022538    0.037753
      8.535452  0.000000  0.000000     0.010505    0.004993   -0.035839
      2.845151  5.690301  0.000000    -0.005300    0.022538    0.035839
      8.535452  5.690301  0.000000     0.005300   -0.004993   -0.037753
      2.845151  0.000000  5.690301     0.005300   -0.004993   -0.037753
      8.535452  0.000000  5.690301    -0.005300    0.022538    0.035839
      2.845151  5.690301  5.690301     0.010505    0.004993   -0.035839
      8.535452  5.690301  5.690301    -0.010505   -0.022538    0.037753
      0.000000  2.845151  0.000000    -0.015742    0.010505    0.023386
      5.690301  2.845151  0.000000     0.015742    0.005300    0.025925
      0.000000  8.535452  0.000000    -0.043273   -0.010505   -0.025925
      5.690301  8.535452  0.000000     0.043273   -0.005300   -0.023386
      0.000000  2.845151  5.690301     0.043273   -0.005300   -0.023386
      5.690301  2.845151  5.690301    -0.043273   -0.010505   -0.025925
      0.000000  8.535452  5.690301     0.015742    0.005300    0.025925
      5.690301  8.535452  5.690301    -0.015742    0.010505    0.023386
      0.000000  0.000000  2.845151    -0.029138   -0.046662    0.000000
      5.690301  0.000000  2.845151     0.029138   -0.002650   -0.015805
      0.000000  5.690301  2.845151    -0.044454    0.046662    0.015805
      5.690301  5.690301  2.845151     0.044454    0.002650    0.000000
      0.000000  0.000000  8.535452     0.044454    0.002650    0.000000
      5.690301  0.000000  8.535452    -0.044454    0.046662    0.015805
      0.000000  5.690301  8.535452     0.029138   -0.002650   -0.015805
      5.690301  5.690301  8.535452    -0.029138   -0.046662    0.000000

 113 f  =    3.843745 THz    24.150961 2PiTHz  128.213522 cm-1    15.896456 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.147146    0.105606   -0.007585
      5.690301  0.000000  0.000000     0.147146   -0.163930    0.042494
      0.000000  5.690301  0.000000    -0.022952   -0.105606   -0.042494
      5.690301  5.690301  0.000000     0.022952    0.163930    0.007585
      0.000000  0.000000  5.690301     0.022952    0.163930    0.007585
      5.690301  0.000000  5.690301    -0.022952   -0.105606   -0.042494
      0.000000  5.690301  5.690301     0.147146   -0.163930    0.042494
      5.690301  5.690301  5.690301    -0.147146    0.105606   -0.007585
      0.000000  2.845151  2.845151     0.020945    0.017104   -0.074468
      5.690301  2.845151  2.845151    -0.020945    0.017805    0.016144
      0.000000  8.535452  2.845151    -0.161677   -0.017104   -0.016144
      5.690301  8.535452  2.845151     0.161677   -0.017805    0.074468
      0.000000  2.845151  8.535452     0.161677   -0.017805    0.074468
      5.690301  2.845151  8.535452    -0.161677   -0.017104   -0.016144
      0.000000  8.535452  8.535452    -0.020945    0.017805    0.016144
      5.690301  8.535452  8.535452     0.020945    0.017104   -0.074468
      2.845151  0.000000  2.845151    -0.024688    0.010173   -0.039780
      8.535452  0.000000  2.845151     0.024688    0.192794    0.130319
      2.845151  5.690301  2.845151    -0.025390   -0.010173   -0.130319
      8.535452  5.690301  2.845151     0.025390   -0.192794    0.039780
      2.845151  0.000000  8.535452     0.025390   -0.192794    0.039780
      8.535452  0.000000  8.535452    -0.025390   -0.010173   -0.130319
      2.845151  5.690301  8.535452     0.024688    0.192794    0.130319
      8.535452  5.690301  8.535452    -0.024688    0.010173   -0.039780
      2.845151  2.845151  0.000000     0.180074   -0.107367   -0.031118
      8.535452  2.845151  0.000000    -0.180074    0.016828   -0.171850
      2.845151  8.535452  0.000000    -0.089462    0.107367    0.171850
      8.535452  8.535452  0.000000     0.089462   -0.016828    0.031118
      2.845151  2.845151  5.690301     0.089462   -0.016828    0.031118
      8.535452  2.845151  5.690301    -0.089462    0.107367    0.171850
      2.845151  8.535452  5.690301    -0.180074    0.016828   -0.171850
      8.535452  8.535452  5.690301     0.180074   -0.107367   -0.031118
      2.845151  2.845151  2.845151    -0.027825    0.011321    0.028962
      8.535452  2.845151  2.845151     0.027825   -0.020173   -0.014172
      2.845151  8.535452  2.845151     0.040524   -0.011321    0.014172
      8.535452  8.535452  2.845151    -0.040524    0.020173   -0.028962
      2.845151  2.845151  8.535452    -0.040524    0.020173   -0.028962
      8.535452  2.845151  8.535452     0.040524   -0.011321    0.014172
      2.845151  8.535452  8.535452     0.027825   -0.020173   -0.014172
      8.535452  8.535452  8.535452    -0.027825    0.011321    0.028962
      2.845151  0.000000  0.000000    -0.011578    0.030550   -0.022270
      8.535452  0.000000  0.000000     0.011578   -0.015760    0.013417
      2.845151  5.690301  0.000000    -0.011400   -0.030550   -0.013417
      8.535452  5.690301  0.000000     0.011400    0.015760    0.022270
      2.845151  0.000000  5.690301     0.011400    0.015760    0.022270
      8.535452  0.000000  5.690301    -0.011400   -0.030550   -0.013417
      2.845151  5.690301  5.690301     0.011578   -0.015760    0.013417
      8.535452  5.690301  5.690301    -0.011578    0.030550   -0.022270
      0.000000  2.845151  0.000000    -0.001588    0.011568    0.032084
      5.690301  2.845151  0.000000     0.001588    0.011391    0.019385
      0.000000  8.535452  0.000000     0.044721   -0.011568   -0.019385
      5.690301  8.535452  0.000000    -0.044721   -0.011391   -0.032084
      0.000000  2.845151  5.690301    -0.044721   -0.011391   -0.032084
      5.690301  2.845151  5.690301     0.044721   -0.011568   -0.019385
      0.000000  8.535452  5.690301     0.001588    0.011391    0.019385
      5.690301  8.535452  5.690301    -0.001588    0.011568    0.032084
      0.000000  0.000000  2.845151     0.033590   -0.059909    0.000009
      5.690301  0.000000  2.845151    -0.033590    0.008440   -0.022968
      0.000000  5.690301  2.845151     0.002097    0.059909    0.022968
      5.690301  5.690301  2.845151    -0.002097   -0.008440   -0.000009
      0.000000  0.000000  8.535452    -0.002097   -0.008440   -0.000009
      5.690301  0.000000  8.535452     0.002097    0.059909    0.022968
      0.000000  5.690301  8.535452    -0.033590    0.008440   -0.022968
      5.690301  5.690301  8.535452     0.033590   -0.059909    0.000009

 114 f  =    3.827155 THz    24.046723 2PiTHz  127.660142 cm-1    15.827846 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.005262   -0.227552    0.000988
      5.690301  0.000000  0.000000     0.005262    0.227552   -0.000988
      0.000000  5.690301  0.000000     0.005262    0.227552   -0.000988
      5.690301  5.690301  0.000000    -0.005262   -0.227552    0.000988
      0.000000  0.000000  5.690301     0.005262    0.227552   -0.000988
      5.690301  0.000000  5.690301    -0.005262   -0.227552    0.000988
      0.000000  5.690301  5.690301    -0.005262   -0.227552    0.000988
      5.690301  5.690301  5.690301     0.005262    0.227552   -0.000988
      0.000000  2.845151  2.845151     0.039341    0.074742   -0.234575
      5.690301  2.845151  2.845151    -0.039341   -0.074742    0.234575
      0.000000  8.535452  2.845151    -0.039341   -0.074742    0.234575
      5.690301  8.535452  2.845151     0.039341    0.074742   -0.234575
      0.000000  2.845151  8.535452    -0.039341   -0.074742    0.234575
      5.690301  2.845151  8.535452     0.039341    0.074742   -0.234575
      0.000000  8.535452  8.535452     0.039341    0.074742   -0.234575
      5.690301  8.535452  8.535452    -0.039341   -0.074742    0.234575
      2.845151  0.000000  2.845151    -0.073754    0.026433    0.013246
      8.535452  0.000000  2.845151     0.073754   -0.026433   -0.013246
      2.845151  5.690301  2.845151     0.073754   -0.026433   -0.013246
      8.535452  5.690301  2.845151    -0.073754    0.026433    0.013246
      2.845151  0.000000  8.535452     0.073754   -0.026433   -0.013246
      8.535452  0.000000  8.535452    -0.073754    0.026433    0.013246
      2.845151  5.690301  8.535452    -0.073754    0.026433    0.013246
      8.535452  5.690301  8.535452     0.073754   -0.026433   -0.013246
      2.845151  2.845151  0.000000     0.007023   -0.018507   -0.065774
      8.535452  2.845151  0.000000    -0.007023    0.018507    0.065774
      2.845151  8.535452  0.000000    -0.007023    0.018507    0.065774
      8.535452  8.535452  0.000000     0.007023   -0.018507   -0.065774
      2.845151  2.845151  5.690301    -0.007023    0.018507    0.065774
      8.535452  2.845151  5.690301     0.007023   -0.018507   -0.065774
      2.845151  8.535452  5.690301     0.007023   -0.018507   -0.065774
      8.535452  8.535452  5.690301    -0.007023    0.018507    0.065774
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

 115 f  =    3.827155 THz    24.046723 2PiTHz  127.660142 cm-1    15.827846 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.044535   -0.050775   -0.069024
      5.690301  0.000000  0.000000    -0.044535    0.050775    0.069024
      0.000000  5.690301  0.000000    -0.044535    0.050775    0.069024
      5.690301  5.690301  0.000000     0.044535   -0.050775   -0.069024
      0.000000  0.000000  5.690301    -0.044535    0.050775    0.069024
      5.690301  0.000000  5.690301     0.044535   -0.050775   -0.069024
      0.000000  5.690301  5.690301     0.044535   -0.050775   -0.069024
      5.690301  5.690301  5.690301    -0.044535    0.050775    0.069024
      0.000000  2.845151  2.845151    -0.070726    0.061178    0.031132
      5.690301  2.845151  2.845151     0.070726   -0.061178   -0.031132
      0.000000  8.535452  2.845151     0.070726   -0.061178   -0.031132
      5.690301  8.535452  2.845151    -0.070726    0.061178    0.031132
      0.000000  2.845151  8.535452     0.070726   -0.061178   -0.031132
      5.690301  2.845151  8.535452    -0.070726    0.061178    0.031132
      0.000000  8.535452  8.535452    -0.070726    0.061178    0.031132
      5.690301  8.535452  8.535452     0.070726   -0.061178   -0.031132
      2.845151  0.000000  2.845151    -0.130202   -0.046083   -0.158756
      8.535452  0.000000  2.845151     0.130202    0.046083    0.158756
      2.845151  5.690301  2.845151     0.130202    0.046083    0.158756
      8.535452  5.690301  2.845151    -0.130202   -0.046083   -0.158756
      2.845151  0.000000  8.535452     0.130202    0.046083    0.158756
      8.535452  0.000000  8.535452    -0.130202   -0.046083   -0.158756
      2.845151  5.690301  8.535452    -0.130202   -0.046083   -0.158756
      8.535452  5.690301  8.535452     0.130202    0.046083    0.158756
      2.845151  2.845151  0.000000    -0.081907    0.203291    0.116809
      8.535452  2.845151  0.000000     0.081907   -0.203291   -0.116809
      2.845151  8.535452  0.000000     0.081907   -0.203291   -0.116809
      8.535452  8.535452  0.000000    -0.081907    0.203291    0.116809
      2.845151  2.845151  5.690301     0.081907   -0.203291   -0.116809
      8.535452  2.845151  5.690301    -0.081907    0.203291    0.116809
      2.845151  8.535452  5.690301    -0.081907    0.203291    0.116809
      8.535452  8.535452  5.690301     0.081907   -0.203291   -0.116809
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

 116 f  =    3.827155 THz    24.046723 2PiTHz  127.660142 cm-1    15.827846 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.044776   -0.052049   -0.214805
      5.690301  0.000000  0.000000     0.044776    0.052049    0.214805
      0.000000  5.690301  0.000000     0.044776    0.052049    0.214805
      5.690301  5.690301  0.000000    -0.044776   -0.052049   -0.214805
      0.000000  0.000000  5.690301     0.044776    0.052049    0.214805
      5.690301  0.000000  5.690301    -0.044776   -0.052049   -0.214805
      0.000000  5.690301  5.690301    -0.044776   -0.052049   -0.214805
      5.690301  5.690301  5.690301     0.044776    0.052049    0.214805
      0.000000  2.845151  2.845151    -0.079858   -0.227061   -0.018718
      5.690301  2.845151  2.845151     0.079858    0.227061    0.018718
      0.000000  8.535452  2.845151     0.079858    0.227061    0.018718
      5.690301  8.535452  2.845151    -0.079858   -0.227061   -0.018718
      0.000000  2.845151  8.535452     0.079858    0.227061    0.018718
      5.690301  2.845151  8.535452    -0.079858   -0.227061   -0.018718
      0.000000  8.535452  8.535452    -0.079858   -0.227061   -0.018718
      5.690301  8.535452  8.535452     0.079858    0.227061    0.018718
      2.845151  0.000000  2.845151     0.012256    0.111834   -0.028194
      8.535452  0.000000  2.845151    -0.012256   -0.111834    0.028194
      2.845151  5.690301  2.845151    -0.012256   -0.111834    0.028194
      8.535452  5.690301  2.845151     0.012256    0.111834   -0.028194
      2.845151  0.000000  8.535452    -0.012256   -0.111834    0.028194
      8.535452  0.000000  8.535452     0.012256    0.111834   -0.028194
      2.845151  5.690301  8.535452     0.012256    0.111834   -0.028194
      8.535452  5.690301  8.535452    -0.012256   -0.111834    0.028194
      2.845151  2.845151  0.000000    -0.033330   -0.016582   -0.031976
      8.535452  2.845151  0.000000     0.033330    0.016582    0.031976
      2.845151  8.535452  0.000000     0.033330    0.016582    0.031976
      8.535452  8.535452  0.000000    -0.033330   -0.016582   -0.031976
      2.845151  2.845151  5.690301     0.033330    0.016582    0.031976
      8.535452  2.845151  5.690301    -0.033330   -0.016582   -0.031976
      2.845151  8.535452  5.690301    -0.033330   -0.016582   -0.031976
      8.535452  8.535452  5.690301     0.033330    0.016582    0.031976
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

 117 f  =    3.827155 THz    24.046723 2PiTHz  127.660142 cm-1    15.827846 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.135529    0.072441    0.035545
      5.690301  0.000000  0.000000     0.135529   -0.072441   -0.035545
      0.000000  5.690301  0.000000     0.135529   -0.072441   -0.035545
      5.690301  5.690301  0.000000    -0.135529    0.072441    0.035545
      0.000000  0.000000  5.690301     0.135529   -0.072441   -0.035545
      5.690301  0.000000  5.690301    -0.135529    0.072441    0.035545
      0.000000  5.690301  5.690301    -0.135529    0.072441    0.035545
      5.690301  5.690301  5.690301     0.135529   -0.072441   -0.035545
      0.000000  2.845151  2.845151     0.085616   -0.021370   -0.062134
      5.690301  2.845151  2.845151    -0.085616    0.021370    0.062134
      0.000000  8.535452  2.845151    -0.085616    0.021370    0.062134
      5.690301  8.535452  2.845151     0.085616   -0.021370   -0.062134
      0.000000  2.845151  8.535452    -0.085616    0.021370    0.062134
      5.690301  2.845151  8.535452     0.085616   -0.021370   -0.062134
      0.000000  8.535452  8.535452     0.085616   -0.021370   -0.062134
      5.690301  8.535452  8.535452    -0.085616    0.021370    0.062134
      2.845151  0.000000  2.845151     0.056915    0.016626   -0.221404
      8.535452  0.000000  2.845151    -0.056915   -0.016626    0.221404
      2.845151  5.690301  2.845151    -0.056915   -0.016626    0.221404
      8.535452  5.690301  2.845151     0.056915    0.016626   -0.221404
      2.845151  0.000000  8.535452    -0.056915   -0.016626    0.221404
      8.535452  0.000000  8.535452     0.056915    0.016626   -0.221404
      2.845151  5.690301  8.535452     0.056915    0.016626   -0.221404
      8.535452  5.690301  8.535452    -0.056915   -0.016626    0.221404
      2.845151  2.845151  0.000000     0.134575    0.085874   -0.102242
      8.535452  2.845151  0.000000    -0.134575   -0.085874    0.102242
      2.845151  8.535452  0.000000    -0.134575   -0.085874    0.102242
      8.535452  8.535452  0.000000     0.134575    0.085874   -0.102242
      2.845151  2.845151  5.690301    -0.134575   -0.085874    0.102242
      8.535452  2.845151  5.690301     0.134575    0.085874   -0.102242
      2.845151  8.535452  5.690301     0.134575    0.085874   -0.102242
      8.535452  8.535452  5.690301    -0.134575   -0.085874    0.102242
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

 118 f  =    3.827155 THz    24.046723 2PiTHz  127.660142 cm-1    15.827846 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.142510    0.071335   -0.122744
      5.690301  0.000000  0.000000     0.142510   -0.071335    0.122744
      0.000000  5.690301  0.000000     0.142510   -0.071335    0.122744
      5.690301  5.690301  0.000000    -0.142510    0.071335   -0.122744
      0.000000  0.000000  5.690301     0.142510   -0.071335    0.122744
      5.690301  0.000000  5.690301    -0.142510    0.071335   -0.122744
      0.000000  5.690301  5.690301    -0.142510    0.071335   -0.122744
      5.690301  5.690301  5.690301     0.142510   -0.071335    0.122744
      0.000000  2.845151  2.845151     0.052196    0.096795    0.060097
      5.690301  2.845151  2.845151    -0.052196   -0.096795   -0.060097
      0.000000  8.535452  2.845151    -0.052196   -0.096795   -0.060097
      5.690301  8.535452  2.845151     0.052196    0.096795    0.060097
      0.000000  2.845151  8.535452    -0.052196   -0.096795   -0.060097
      5.690301  2.845151  8.535452     0.052196    0.096795    0.060097
      0.000000  8.535452  8.535452     0.052196    0.096795    0.060097
      5.690301  8.535452  8.535452    -0.052196   -0.096795   -0.060097
      2.845151  0.000000  2.845151    -0.219539   -0.019347   -0.004551
      8.535452  0.000000  2.845151     0.219539    0.019347    0.004551
      2.845151  5.690301  2.845151     0.219539    0.019347    0.004551
      8.535452  5.690301  2.845151    -0.219539   -0.019347   -0.004551
      2.845151  0.000000  8.535452     0.219539    0.019347    0.004551
      8.535452  0.000000  8.535452    -0.219539   -0.019347   -0.004551
      2.845151  5.690301  8.535452    -0.219539   -0.019347   -0.004551
      8.535452  5.690301  8.535452     0.219539    0.019347    0.004551
      2.845151  2.845151  0.000000     0.011237   -0.137959   -0.032849
      8.535452  2.845151  0.000000    -0.011237    0.137959    0.032849
      2.845151  8.535452  0.000000    -0.011237    0.137959    0.032849
      8.535452  8.535452  0.000000     0.011237   -0.137959   -0.032849
      2.845151  2.845151  5.690301    -0.011237    0.137959    0.032849
      8.535452  2.845151  5.690301     0.011237   -0.137959   -0.032849
      2.845151  8.535452  5.690301     0.011237   -0.137959   -0.032849
      8.535452  8.535452  5.690301    -0.011237    0.137959    0.032849
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

 119 f  =    3.827155 THz    24.046723 2PiTHz  127.660142 cm-1    15.827846 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.159988    0.097717   -0.028721
      5.690301  0.000000  0.000000    -0.159988   -0.097717    0.028721
      0.000000  5.690301  0.000000    -0.159988   -0.097717    0.028721
      5.690301  5.690301  0.000000     0.159988    0.097717   -0.028721
      0.000000  0.000000  5.690301    -0.159988   -0.097717    0.028721
      5.690301  0.000000  5.690301     0.159988    0.097717   -0.028721
      0.000000  5.690301  5.690301     0.159988    0.097717   -0.028721
      5.690301  5.690301  5.690301    -0.159988   -0.097717    0.028721
      0.000000  2.845151  2.845151    -0.037731    0.061628    0.002103
      5.690301  2.845151  2.845151     0.037731   -0.061628   -0.002103
      0.000000  8.535452  2.845151     0.037731   -0.061628   -0.002103
      5.690301  8.535452  2.845151    -0.037731    0.061628    0.002103
      0.000000  2.845151  8.535452     0.037731   -0.061628   -0.002103
      5.690301  2.845151  8.535452    -0.037731    0.061628    0.002103
      0.000000  8.535452  8.535452    -0.037731    0.061628    0.002103
      5.690301  8.535452  8.535452     0.037731   -0.061628   -0.002103
      2.845151  0.000000  2.845151    -0.090349    0.180532    0.061060
      8.535452  0.000000  2.845151     0.090349   -0.180532   -0.061060
      2.845151  5.690301  2.845151     0.090349   -0.180532   -0.061060
      8.535452  5.690301  2.845151    -0.090349    0.180532    0.061060
      2.845151  0.000000  8.535452     0.090349   -0.180532   -0.061060
      8.535452  0.000000  8.535452    -0.090349    0.180532    0.061060
      2.845151  5.690301  8.535452    -0.090349    0.180532    0.061060
      8.535452  5.690301  8.535452     0.090349   -0.180532   -0.061060
      2.845151  2.845151  0.000000     0.095614    0.098928   -0.142801
      8.535452  2.845151  0.000000    -0.095614   -0.098928    0.142801
      2.845151  8.535452  0.000000    -0.095614   -0.098928    0.142801
      8.535452  8.535452  0.000000     0.095614    0.098928   -0.142801
      2.845151  2.845151  5.690301    -0.095614   -0.098928    0.142801
      8.535452  2.845151  5.690301     0.095614    0.098928   -0.142801
      2.845151  8.535452  5.690301     0.095614    0.098928   -0.142801
      8.535452  8.535452  5.690301    -0.095614   -0.098928    0.142801
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

 120 f  =    3.827155 THz    24.046723 2PiTHz  127.660142 cm-1    15.827846 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.032693   -0.079781    0.063245
      5.690301  0.000000  0.000000     0.032693    0.079781   -0.063245
      0.000000  5.690301  0.000000     0.032693    0.079781   -0.063245
      5.690301  5.690301  0.000000    -0.032693   -0.079781    0.063245
      0.000000  0.000000  5.690301     0.032693    0.079781   -0.063245
      5.690301  0.000000  5.690301    -0.032693   -0.079781    0.063245
      0.000000  5.690301  5.690301    -0.032693   -0.079781    0.063245
      5.690301  5.690301  5.690301     0.032693    0.079781   -0.063245
      0.000000  2.845151  2.845151     0.074737    0.034237    0.139472
      5.690301  2.845151  2.845151    -0.074737   -0.034237   -0.139472
      0.000000  8.535452  2.845151    -0.074737   -0.034237   -0.139472
      5.690301  8.535452  2.845151     0.074737    0.034237    0.139472
      0.000000  2.845151  8.535452    -0.074737   -0.034237   -0.139472
      5.690301  2.845151  8.535452     0.074737    0.034237    0.139472
      0.000000  8.535452  8.535452     0.074737    0.034237    0.139472
      5.690301  8.535452  8.535452    -0.074737   -0.034237   -0.139472
      2.845151  0.000000  2.845151     0.029008    0.091713   -0.046275
      8.535452  0.000000  2.845151    -0.029008   -0.091713    0.046275
      2.845151  5.690301  2.845151    -0.029008   -0.091713    0.046275
      8.535452  5.690301  2.845151     0.029008    0.091713   -0.046275
      2.845151  0.000000  8.535452    -0.029008   -0.091713    0.046275
      8.535452  0.000000  8.535452     0.029008    0.091713   -0.046275
      2.845151  5.690301  8.535452     0.029008    0.091713   -0.046275
      8.535452  5.690301  8.535452    -0.029008   -0.091713    0.046275
      2.845151  2.845151  0.000000    -0.219254    0.013581   -0.166449
      8.535452  2.845151  0.000000     0.219254   -0.013581    0.166449
      2.845151  8.535452  0.000000     0.219254   -0.013581    0.166449
      8.535452  8.535452  0.000000    -0.219254    0.013581   -0.166449
      2.845151  2.845151  5.690301     0.219254   -0.013581    0.166449
      8.535452  2.845151  5.690301    -0.219254    0.013581   -0.166449
      2.845151  8.535452  5.690301    -0.219254    0.013581   -0.166449
      8.535452  8.535452  5.690301     0.219254   -0.013581    0.166449
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

 121 f  =    3.827155 THz    24.046723 2PiTHz  127.660142 cm-1    15.827846 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.118216   -0.004021    0.106172
      5.690301  0.000000  0.000000     0.118216    0.004021   -0.106172
      0.000000  5.690301  0.000000     0.118216    0.004021   -0.106172
      5.690301  5.690301  0.000000    -0.118216   -0.004021    0.106172
      0.000000  0.000000  5.690301     0.118216    0.004021   -0.106172
      5.690301  0.000000  5.690301    -0.118216   -0.004021    0.106172
      0.000000  5.690301  5.690301    -0.118216   -0.004021    0.106172
      5.690301  5.690301  5.690301     0.118216    0.004021   -0.106172
      0.000000  2.845151  2.845151    -0.230960    0.087472   -0.007681
      5.690301  2.845151  2.845151     0.230960   -0.087472    0.007681
      0.000000  8.535452  2.845151     0.230960   -0.087472    0.007681
      5.690301  8.535452  2.845151    -0.230960    0.087472   -0.007681
      0.000000  2.845151  8.535452     0.230960   -0.087472    0.007681
      5.690301  2.845151  8.535452    -0.230960    0.087472   -0.007681
      0.000000  8.535452  8.535452    -0.230960    0.087472   -0.007681
      5.690301  8.535452  8.535452     0.230960   -0.087472    0.007681
      2.845151  0.000000  2.845151     0.018700    0.162328   -0.047432
      8.535452  0.000000  2.845151    -0.018700   -0.162328    0.047432
      2.845151  5.690301  2.845151    -0.018700   -0.162328    0.047432
      8.535452  5.690301  2.845151     0.018700    0.162328   -0.047432
      2.845151  0.000000  8.535452    -0.018700   -0.162328    0.047432
      8.535452  0.000000  8.535452     0.018700    0.162328   -0.047432
      2.845151  5.690301  8.535452     0.018700    0.162328   -0.047432
      8.535452  5.690301  8.535452    -0.018700   -0.162328    0.047432
      2.845151  2.845151  0.000000     0.003660   -0.070784    0.068632
      8.535452  2.845151  0.000000    -0.003660    0.070784   -0.068632
      2.845151  8.535452  0.000000    -0.003660    0.070784   -0.068632
      8.535452  8.535452  0.000000     0.003660   -0.070784    0.068632
      2.845151  2.845151  5.690301    -0.003660    0.070784   -0.068632
      8.535452  2.845151  5.690301     0.003660   -0.070784    0.068632
      2.845151  8.535452  5.690301     0.003660   -0.070784    0.068632
      8.535452  8.535452  5.690301    -0.003660    0.070784   -0.068632
      2.845151  2.845151  2.845151     0.000000    0.000000    0.000000
      8.535452  2.845151  2.845151     0.000000    0.000000    0.000000
      2.845151  8.535452  2.845151     0.000000    0.000000    0.000000
      8.535452  8.535452  2.845151     0.000000    0.000000    0.000000
      2.845151  2.845151  8.535452     0.000000    0.000000    0.000000
      8.535452  2.845151  8.535452     0.000000    0.000000    0.000000
      2.845151  8.535452  8.535452     0.000000    0.000000    0.000000
      8.535452  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  0.000000     0.000000    0.000000    0.000000
      8.535452  0.000000  0.000000     0.000000    0.000000    0.000000
      2.845151  5.690301  0.000000     0.000000    0.000000    0.000000
      8.535452  5.690301  0.000000     0.000000    0.000000    0.000000
      2.845151  0.000000  5.690301     0.000000    0.000000    0.000000
      8.535452  0.000000  5.690301     0.000000    0.000000    0.000000
      2.845151  5.690301  5.690301     0.000000    0.000000    0.000000
      8.535452  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  0.000000     0.000000    0.000000    0.000000
      5.690301  2.845151  0.000000     0.000000    0.000000    0.000000
      0.000000  8.535452  0.000000     0.000000    0.000000    0.000000
      5.690301  8.535452  0.000000     0.000000    0.000000    0.000000
      0.000000  2.845151  5.690301     0.000000    0.000000    0.000000
      5.690301  2.845151  5.690301     0.000000    0.000000    0.000000
      0.000000  8.535452  5.690301     0.000000    0.000000    0.000000
      5.690301  8.535452  5.690301     0.000000    0.000000    0.000000
      0.000000  0.000000  2.845151     0.000000    0.000000    0.000000
      5.690301  0.000000  2.845151     0.000000    0.000000    0.000000
      0.000000  5.690301  2.845151     0.000000    0.000000    0.000000
      5.690301  5.690301  2.845151     0.000000    0.000000    0.000000
      0.000000  0.000000  8.535452     0.000000    0.000000    0.000000
      5.690301  0.000000  8.535452     0.000000    0.000000    0.000000
      0.000000  5.690301  8.535452     0.000000    0.000000    0.000000
      5.690301  5.690301  8.535452     0.000000    0.000000    0.000000

 122 f  =    3.674707 THz    23.088862 2PiTHz  122.575014 cm-1    15.197370 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.007127   -0.005047    0.000413
      5.690301  0.000000  0.000000     0.007127   -0.005047    0.000413
      0.000000  5.690301  0.000000    -0.007127    0.005047    0.000413
      5.690301  5.690301  0.000000     0.007127    0.005047    0.000413
      0.000000  0.000000  5.690301    -0.007127   -0.005047   -0.000413
      5.690301  0.000000  5.690301     0.007127   -0.005047   -0.000413
      0.000000  5.690301  5.690301    -0.007127    0.005047   -0.000413
      5.690301  5.690301  5.690301     0.007127    0.005047   -0.000413
      0.000000  2.845151  2.845151    -0.007127   -0.001937    0.151619
      5.690301  2.845151  2.845151     0.007127   -0.001937    0.151619
      0.000000  8.535452  2.845151    -0.007127    0.001937    0.151619
      5.690301  8.535452  2.845151     0.007127    0.001937    0.151619
      0.000000  2.845151  8.535452    -0.007127   -0.001937   -0.151619
      5.690301  2.845151  8.535452     0.007127   -0.001937   -0.151619
      0.000000  8.535452  8.535452    -0.007127    0.001937   -0.151619
      5.690301  8.535452  8.535452     0.007127    0.001937   -0.151619
      2.845151  0.000000  2.845151     0.000905   -0.005047    0.151619
      8.535452  0.000000  2.845151    -0.000905   -0.005047    0.151619
      2.845151  5.690301  2.845151     0.000905    0.005047    0.151619
      8.535452  5.690301  2.845151    -0.000905    0.005047    0.151619
      2.845151  0.000000  8.535452     0.000905   -0.005047   -0.151619
      8.535452  0.000000  8.535452    -0.000905   -0.005047   -0.151619
      2.845151  5.690301  8.535452     0.000905    0.005047   -0.151619
      8.535452  5.690301  8.535452    -0.000905    0.005047   -0.151619
      2.845151  2.845151  0.000000     0.000905   -0.001937    0.000413
      8.535452  2.845151  0.000000    -0.000905   -0.001937    0.000413
      2.845151  8.535452  0.000000     0.000905    0.001937    0.000413
      8.535452  8.535452  0.000000    -0.000905    0.001937    0.000413
      2.845151  2.845151  5.690301     0.000905   -0.001937   -0.000413
      8.535452  2.845151  5.690301    -0.000905   -0.001937   -0.000413
      2.845151  8.535452  5.690301     0.000905    0.001937   -0.000413
      8.535452  8.535452  5.690301    -0.000905    0.001937   -0.000413
      2.845151  2.845151  2.845151     0.001183   -0.002533    0.198222
      8.535452  2.845151  2.845151    -0.001183   -0.002533    0.198222
      2.845151  8.535452  2.845151     0.001183    0.002533    0.198222
      8.535452  8.535452  2.845151    -0.001183    0.002533    0.198222
      2.845151  2.845151  8.535452     0.001183   -0.002533   -0.198222
      8.535452  2.845151  8.535452    -0.001183   -0.002533   -0.198222
      2.845151  8.535452  8.535452     0.001183    0.002533   -0.198222
      8.535452  8.535452  8.535452    -0.001183    0.002533   -0.198222
      2.845151  0.000000  0.000000     0.001183   -0.006599    0.000541
      8.535452  0.000000  0.000000    -0.001183   -0.006599    0.000541
      2.845151  5.690301  0.000000     0.001183    0.006599    0.000541
      8.535452  5.690301  0.000000    -0.001183    0.006599    0.000541
      2.845151  0.000000  5.690301     0.001183   -0.006599   -0.000541
      8.535452  0.000000  5.690301    -0.001183   -0.006599   -0.000541
      2.845151  5.690301  5.690301     0.001183    0.006599   -0.000541
      8.535452  5.690301  5.690301    -0.001183    0.006599   -0.000541
      0.000000  2.845151  0.000000    -0.009318   -0.002533    0.000541
      5.690301  2.845151  0.000000     0.009318   -0.002533    0.000541
      0.000000  8.535452  0.000000    -0.009318    0.002533    0.000541
      5.690301  8.535452  0.000000     0.009318    0.002533    0.000541
      0.000000  2.845151  5.690301    -0.009318   -0.002533   -0.000541
      5.690301  2.845151  5.690301     0.009318   -0.002533   -0.000541
      0.000000  8.535452  5.690301    -0.009318    0.002533   -0.000541
      5.690301  8.535452  5.690301     0.009318    0.002533   -0.000541
      0.000000  0.000000  2.845151    -0.009318   -0.006599    0.198222
      5.690301  0.000000  2.845151     0.009318   -0.006599    0.198222
      0.000000  5.690301  2.845151    -0.009318    0.006599    0.198222
      5.690301  5.690301  2.845151     0.009318    0.006599    0.198222
      0.000000  0.000000  8.535452    -0.009318   -0.006599   -0.198222
      5.690301  0.000000  8.535452     0.009318   -0.006599   -0.198222
      0.000000  5.690301  8.535452    -0.009318    0.006599   -0.198222
      5.690301  5.690301  8.535452     0.009318    0.006599   -0.198222

 123 f  =    3.674707 THz    23.088862 2PiTHz  122.575014 cm-1    15.197370 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.114069   -0.015309   -0.096624
      5.690301  0.000000  0.000000    -0.114069   -0.015309   -0.096624
      0.000000  5.690301  0.000000     0.114069    0.015309   -0.096624
      5.690301  5.690301  0.000000    -0.114069    0.015309   -0.096624
      0.000000  0.000000  5.690301     0.114069   -0.015309    0.096624
      5.690301  0.000000  5.690301    -0.114069   -0.015309    0.096624
      0.000000  5.690301  5.690301     0.114069    0.015309    0.096624
      5.690301  5.690301  5.690301    -0.114069    0.015309    0.096624
      0.000000  2.845151  2.845151     0.114069   -0.015515    0.005007
      5.690301  2.845151  2.845151    -0.114069   -0.015515    0.005007
      0.000000  8.535452  2.845151     0.114069    0.015515    0.005007
      5.690301  8.535452  2.845151    -0.114069    0.015515    0.005007
      0.000000  2.845151  8.535452     0.114069   -0.015515   -0.005007
      5.690301  2.845151  8.535452    -0.114069   -0.015515   -0.005007
      0.000000  8.535452  8.535452     0.114069    0.015515   -0.005007
      5.690301  8.535452  8.535452    -0.114069    0.015515   -0.005007
      2.845151  0.000000  2.845151    -0.014883   -0.015309    0.005007
      8.535452  0.000000  2.845151     0.014883   -0.015309    0.005007
      2.845151  5.690301  2.845151    -0.014883    0.015309    0.005007
      8.535452  5.690301  2.845151     0.014883    0.015309    0.005007
      2.845151  0.000000  8.535452    -0.014883   -0.015309   -0.005007
      8.535452  0.000000  8.535452     0.014883   -0.015309   -0.005007
      2.845151  5.690301  8.535452    -0.014883    0.015309   -0.005007
      8.535452  5.690301  8.535452     0.014883    0.015309   -0.005007
      2.845151  2.845151  0.000000    -0.014883   -0.015515   -0.096624
      8.535452  2.845151  0.000000     0.014883   -0.015515   -0.096624
      2.845151  8.535452  0.000000    -0.014883    0.015515   -0.096624
      8.535452  8.535452  0.000000     0.014883    0.015515   -0.096624
      2.845151  2.845151  5.690301    -0.014883   -0.015515    0.096624
      8.535452  2.845151  5.690301     0.014883   -0.015515    0.096624
      2.845151  8.535452  5.690301    -0.014883    0.015515    0.096624
      8.535452  8.535452  5.690301     0.014883    0.015515    0.096624
      2.845151  2.845151  2.845151    -0.019457   -0.020284    0.006545
      8.535452  2.845151  2.845151     0.019457   -0.020284    0.006545
      2.845151  8.535452  2.845151    -0.019457    0.020284    0.006545
      8.535452  8.535452  2.845151     0.019457    0.020284    0.006545
      2.845151  2.845151  8.535452    -0.019457   -0.020284   -0.006545
      8.535452  2.845151  8.535452     0.019457   -0.020284   -0.006545
      2.845151  8.535452  8.535452    -0.019457    0.020284   -0.006545
      8.535452  8.535452  8.535452     0.019457    0.020284   -0.006545
      2.845151  0.000000  0.000000    -0.019457   -0.020014   -0.126323
      8.535452  0.000000  0.000000     0.019457   -0.020014   -0.126323
      2.845151  5.690301  0.000000    -0.019457    0.020014   -0.126323
      8.535452  5.690301  0.000000     0.019457    0.020014   -0.126323
      2.845151  0.000000  5.690301    -0.019457   -0.020014    0.126323
      8.535452  0.000000  5.690301     0.019457   -0.020014    0.126323
      2.845151  5.690301  5.690301    -0.019457    0.020014    0.126323
      8.535452  5.690301  5.690301     0.019457    0.020014    0.126323
      0.000000  2.845151  0.000000     0.149130   -0.020284   -0.126323
      5.690301  2.845151  0.000000    -0.149130   -0.020284   -0.126323
      0.000000  8.535452  0.000000     0.149130    0.020284   -0.126323
      5.690301  8.535452  0.000000    -0.149130    0.020284   -0.126323
      0.000000  2.845151  5.690301     0.149130   -0.020284    0.126323
      5.690301  2.845151  5.690301    -0.149130   -0.020284    0.126323
      0.000000  8.535452  5.690301     0.149130    0.020284    0.126323
      5.690301  8.535452  5.690301    -0.149130    0.020284    0.126323
      0.000000  0.000000  2.845151     0.149130   -0.020014    0.006545
      5.690301  0.000000  2.845151    -0.149130   -0.020014    0.006545
      0.000000  5.690301  2.845151     0.149130    0.020014    0.006545
      5.690301  5.690301  2.845151    -0.149130    0.020014    0.006545
      0.000000  0.000000  8.535452     0.149130   -0.020014   -0.006545
      5.690301  0.000000  8.535452    -0.149130   -0.020014   -0.006545
      0.000000  5.690301  8.535452     0.149130    0.020014   -0.006545
      5.690301  5.690301  8.535452    -0.149130    0.020014   -0.006545

 124 f  =    3.674707 THz    23.088862 2PiTHz  122.575014 cm-1    15.197370 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000101    0.075195   -0.036840
      5.690301  0.000000  0.000000    -0.000101    0.075195   -0.036840
      0.000000  5.690301  0.000000     0.000101   -0.075195   -0.036840
      5.690301  5.690301  0.000000    -0.000101   -0.075195   -0.036840
      0.000000  0.000000  5.690301     0.000101    0.075195    0.036840
      5.690301  0.000000  5.690301    -0.000101    0.075195    0.036840
      0.000000  5.690301  5.690301     0.000101   -0.075195    0.036840
      5.690301  5.690301  5.690301    -0.000101   -0.075195    0.036840
      0.000000  2.845151  2.845151     0.000101    0.120836    0.003926
      5.690301  2.845151  2.845151    -0.000101    0.120836    0.003926
      0.000000  8.535452  2.845151     0.000101   -0.120836    0.003926
      5.690301  8.535452  2.845151    -0.000101   -0.120836    0.003926
      0.000000  2.845151  8.535452     0.000101    0.120836   -0.003926
      5.690301  2.845151  8.535452    -0.000101    0.120836   -0.003926
      0.000000  8.535452  8.535452     0.000101   -0.120836   -0.003926
      5.690301  8.535452  8.535452    -0.000101   -0.120836   -0.003926
      2.845151  0.000000  2.845151     0.037962    0.075195    0.003926
      8.535452  0.000000  2.845151    -0.037962    0.075195    0.003926
      2.845151  5.690301  2.845151     0.037962   -0.075195    0.003926
      8.535452  5.690301  2.845151    -0.037962   -0.075195    0.003926
      2.845151  0.000000  8.535452     0.037962    0.075195   -0.003926
      8.535452  0.000000  8.535452    -0.037962    0.075195   -0.003926
      2.845151  5.690301  8.535452     0.037962   -0.075195   -0.003926
      8.535452  5.690301  8.535452    -0.037962   -0.075195   -0.003926
      2.845151  2.845151  0.000000     0.037962    0.120836   -0.036840
      8.535452  2.845151  0.000000    -0.037962    0.120836   -0.036840
      2.845151  8.535452  0.000000     0.037962   -0.120836   -0.036840
      8.535452  8.535452  0.000000    -0.037962   -0.120836   -0.036840
      2.845151  2.845151  5.690301     0.037962    0.120836    0.036840
      8.535452  2.845151  5.690301    -0.037962    0.120836    0.036840
      2.845151  8.535452  5.690301     0.037962   -0.120836    0.036840
      8.535452  8.535452  5.690301    -0.037962   -0.120836    0.036840
      2.845151  2.845151  2.845151     0.049630    0.157978    0.005133
      8.535452  2.845151  2.845151    -0.049630    0.157978    0.005133
      2.845151  8.535452  2.845151     0.049630   -0.157978    0.005133
      8.535452  8.535452  2.845151    -0.049630   -0.157978    0.005133
      2.845151  2.845151  8.535452     0.049630    0.157978   -0.005133
      8.535452  2.845151  8.535452    -0.049630    0.157978   -0.005133
      2.845151  8.535452  8.535452     0.049630   -0.157978   -0.005133
      8.535452  8.535452  8.535452    -0.049630   -0.157978   -0.005133
      2.845151  0.000000  0.000000     0.049630    0.098307   -0.048164
      8.535452  0.000000  0.000000    -0.049630    0.098307   -0.048164
      2.845151  5.690301  0.000000     0.049630   -0.098307   -0.048164
      8.535452  5.690301  0.000000    -0.049630   -0.098307   -0.048164
      2.845151  0.000000  5.690301     0.049630    0.098307    0.048164
      8.535452  0.000000  5.690301    -0.049630    0.098307    0.048164
      2.845151  5.690301  5.690301     0.049630   -0.098307    0.048164
      8.535452  5.690301  5.690301    -0.049630   -0.098307    0.048164
      0.000000  2.845151  0.000000     0.000132    0.157978   -0.048164
      5.690301  2.845151  0.000000    -0.000132    0.157978   -0.048164
      0.000000  8.535452  0.000000     0.000132   -0.157978   -0.048164
      5.690301  8.535452  0.000000    -0.000132   -0.157978   -0.048164
      0.000000  2.845151  5.690301     0.000132    0.157978    0.048164
      5.690301  2.845151  5.690301    -0.000132    0.157978    0.048164
      0.000000  8.535452  5.690301     0.000132   -0.157978    0.048164
      5.690301  8.535452  5.690301    -0.000132   -0.157978    0.048164
      0.000000  0.000000  2.845151     0.000132    0.098307    0.005133
      5.690301  0.000000  2.845151    -0.000132    0.098307    0.005133
      0.000000  5.690301  2.845151     0.000132   -0.098307    0.005133
      5.690301  5.690301  2.845151    -0.000132   -0.098307    0.005133
      0.000000  0.000000  8.535452     0.000132    0.098307   -0.005133
      5.690301  0.000000  8.535452    -0.000132    0.098307   -0.005133
      0.000000  5.690301  8.535452     0.000132   -0.098307   -0.005133
      5.690301  5.690301  8.535452    -0.000132   -0.098307   -0.005133

 125 f  =    3.674707 THz    23.088862 2PiTHz  122.575014 cm-1    15.197370 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.062573   -0.079518   -0.074704
      5.690301  0.000000  0.000000     0.062573   -0.079518   -0.074704
      0.000000  5.690301  0.000000    -0.062573    0.079518   -0.074704
      5.690301  5.690301  0.000000     0.062573    0.079518   -0.074704
      0.000000  0.000000  5.690301    -0.062573   -0.079518    0.074704
      5.690301  0.000000  5.690301     0.062573   -0.079518    0.074704
      0.000000  5.690301  5.690301    -0.062573    0.079518    0.074704
      5.690301  5.690301  5.690301     0.062573    0.079518    0.074704
      0.000000  2.845151  2.845151    -0.062573    0.000265   -0.005888
      5.690301  2.845151  2.845151     0.062573    0.000265   -0.005888
      0.000000  8.535452  2.845151    -0.062573   -0.000265   -0.005888
      5.690301  8.535452  2.845151     0.062573   -0.000265   -0.005888
      0.000000  2.845151  8.535452    -0.062573    0.000265    0.005888
      5.690301  2.845151  8.535452     0.062573    0.000265    0.005888
      0.000000  8.535452  8.535452    -0.062573   -0.000265    0.005888
      5.690301  8.535452  8.535452     0.062573   -0.000265    0.005888
      2.845151  0.000000  2.845151     0.084944   -0.079518   -0.005888
      8.535452  0.000000  2.845151    -0.084944   -0.079518   -0.005888
      2.845151  5.690301  2.845151     0.084944    0.079518   -0.005888
      8.535452  5.690301  2.845151    -0.084944    0.079518   -0.005888
      2.845151  0.000000  8.535452     0.084944   -0.079518    0.005888
      8.535452  0.000000  8.535452    -0.084944   -0.079518    0.005888
      2.845151  5.690301  8.535452     0.084944    0.079518    0.005888
      8.535452  5.690301  8.535452    -0.084944    0.079518    0.005888
      2.845151  2.845151  0.000000     0.084944    0.000265   -0.074704
      8.535452  2.845151  0.000000    -0.084944    0.000265   -0.074704
      2.845151  8.535452  0.000000     0.084944   -0.000265   -0.074704
      8.535452  8.535452  0.000000    -0.084944   -0.000265   -0.074704
      2.845151  2.845151  5.690301     0.084944    0.000265    0.074704
      8.535452  2.845151  5.690301    -0.084944    0.000265    0.074704
      2.845151  8.535452  5.690301     0.084944   -0.000265    0.074704
      8.535452  8.535452  5.690301    -0.084944   -0.000265    0.074704
      2.845151  2.845151  2.845151     0.111053    0.000347   -0.007698
      8.535452  2.845151  2.845151    -0.111053    0.000347   -0.007698
      2.845151  8.535452  2.845151     0.111053   -0.000347   -0.007698
      8.535452  8.535452  2.845151    -0.111053   -0.000347   -0.007698
      2.845151  2.845151  8.535452     0.111053    0.000347    0.007698
      8.535452  2.845151  8.535452    -0.111053    0.000347    0.007698
      2.845151  8.535452  8.535452     0.111053   -0.000347    0.007698
      8.535452  8.535452  8.535452    -0.111053   -0.000347    0.007698
      2.845151  0.000000  0.000000     0.111053   -0.103959   -0.097665
      8.535452  0.000000  0.000000    -0.111053   -0.103959   -0.097665
      2.845151  5.690301  0.000000     0.111053    0.103959   -0.097665
      8.535452  5.690301  0.000000    -0.111053    0.103959   -0.097665
      2.845151  0.000000  5.690301     0.111053   -0.103959    0.097665
      8.535452  0.000000  5.690301    -0.111053   -0.103959    0.097665
      2.845151  5.690301  5.690301     0.111053    0.103959    0.097665
      8.535452  5.690301  5.690301    -0.111053    0.103959    0.097665
      0.000000  2.845151  0.000000    -0.081806    0.000347   -0.097665
      5.690301  2.845151  0.000000     0.081806    0.000347   -0.097665
      0.000000  8.535452  0.000000    -0.081806   -0.000347   -0.097665
      5.690301  8.535452  0.000000     0.081806   -0.000347   -0.097665
      0.000000  2.845151  5.690301    -0.081806    0.000347    0.097665
      5.690301  2.845151  5.690301     0.081806    0.000347    0.097665
      0.000000  8.535452  5.690301    -0.081806   -0.000347    0.097665
      5.690301  8.535452  5.690301     0.081806   -0.000347    0.097665
      0.000000  0.000000  2.845151    -0.081806   -0.103959   -0.007698
      5.690301  0.000000  2.845151     0.081806   -0.103959   -0.007698
      0.000000  5.690301  2.845151    -0.081806    0.103959   -0.007698
      5.690301  5.690301  2.845151     0.081806    0.103959   -0.007698
      0.000000  0.000000  8.535452    -0.081806   -0.103959    0.007698
      5.690301  0.000000  8.535452     0.081806   -0.103959    0.007698
      0.000000  5.690301  8.535452    -0.081806    0.103959    0.007698
      5.690301  5.690301  8.535452     0.081806    0.103959    0.007698

 126 f  =    3.674707 THz    23.088862 2PiTHz  122.575014 cm-1    15.197370 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.055111   -0.037838   -0.048319
      5.690301  0.000000  0.000000     0.055111   -0.037838   -0.048319
      0.000000  5.690301  0.000000    -0.055111    0.037838   -0.048319
      5.690301  5.690301  0.000000     0.055111    0.037838   -0.048319
      0.000000  0.000000  5.690301    -0.055111   -0.037838    0.048319
      5.690301  0.000000  5.690301     0.055111   -0.037838    0.048319
      0.000000  5.690301  5.690301    -0.055111    0.037838    0.048319
      5.690301  5.690301  5.690301     0.055111    0.037838    0.048319
      0.000000  2.845151  2.845151    -0.055111    0.046269   -0.002418
      5.690301  2.845151  2.845151     0.055111    0.046269   -0.002418
      0.000000  8.535452  2.845151    -0.055111   -0.046269   -0.002418
      5.690301  8.535452  2.845151     0.055111   -0.046269   -0.002418
      0.000000  2.845151  8.535452    -0.055111    0.046269    0.002418
      5.690301  2.845151  8.535452     0.055111    0.046269    0.002418
      0.000000  8.535452  8.535452    -0.055111   -0.046269    0.002418
      5.690301  8.535452  8.535452     0.055111   -0.046269    0.002418
      2.845151  0.000000  2.845151    -0.118824   -0.037838   -0.002418
      8.535452  0.000000  2.845151     0.118824   -0.037838   -0.002418
      2.845151  5.690301  2.845151    -0.118824    0.037838   -0.002418
      8.535452  5.690301  2.845151     0.118824    0.037838   -0.002418
      2.845151  0.000000  8.535452    -0.118824   -0.037838    0.002418
      8.535452  0.000000  8.535452     0.118824   -0.037838    0.002418
      2.845151  5.690301  8.535452    -0.118824    0.037838    0.002418
      8.535452  5.690301  8.535452     0.118824    0.037838    0.002418
      2.845151  2.845151  0.000000    -0.118824    0.046269   -0.048319
      8.535452  2.845151  0.000000     0.118824    0.046269   -0.048319
      2.845151  8.535452  0.000000    -0.118824   -0.046269   -0.048319
      8.535452  8.535452  0.000000     0.118824   -0.046269   -0.048319
      2.845151  2.845151  5.690301    -0.118824    0.046269    0.048319
      8.535452  2.845151  5.690301     0.118824    0.046269    0.048319
      2.845151  8.535452  5.690301    -0.118824   -0.046269    0.048319
      8.535452  8.535452  5.690301     0.118824   -0.046269    0.048319
      2.845151  2.845151  2.845151    -0.155347    0.060491   -0.003162
      8.535452  2.845151  2.845151     0.155347    0.060491   -0.003162
      2.845151  8.535452  2.845151    -0.155347   -0.060491   -0.003162
      8.535452  8.535452  2.845151     0.155347   -0.060491   -0.003162
      2.845151  2.845151  8.535452    -0.155347    0.060491    0.003162
      8.535452  2.845151  8.535452     0.155347    0.060491    0.003162
      2.845151  8.535452  8.535452    -0.155347   -0.060491    0.003162
      8.535452  8.535452  8.535452     0.155347   -0.060491    0.003162
      2.845151  0.000000  0.000000    -0.155347   -0.049468   -0.063171
      8.535452  0.000000  0.000000     0.155347   -0.049468   -0.063171
      2.845151  5.690301  0.000000    -0.155347    0.049468   -0.063171
      8.535452  5.690301  0.000000     0.155347    0.049468   -0.063171
      2.845151  0.000000  5.690301    -0.155347   -0.049468    0.063171
      8.535452  0.000000  5.690301     0.155347   -0.049468    0.063171
      2.845151  5.690301  5.690301    -0.155347    0.049468    0.063171
      8.535452  5.690301  5.690301     0.155347    0.049468    0.063171
      0.000000  2.845151  0.000000    -0.072050    0.060491   -0.063171
      5.690301  2.845151  0.000000     0.072050    0.060491   -0.063171
      0.000000  8.535452  0.000000    -0.072050   -0.060491   -0.063171
      5.690301  8.535452  0.000000     0.072050   -0.060491   -0.063171
      0.000000  2.845151  5.690301    -0.072050    0.060491    0.063171
      5.690301  2.845151  5.690301     0.072050    0.060491    0.063171
      0.000000  8.535452  5.690301    -0.072050   -0.060491    0.063171
      5.690301  8.535452  5.690301     0.072050   -0.060491    0.063171
      0.000000  0.000000  2.845151    -0.072050   -0.049468   -0.003162
      5.690301  0.000000  2.845151     0.072050   -0.049468   -0.003162
      0.000000  5.690301  2.845151    -0.072050    0.049468   -0.003162
      5.690301  5.690301  2.845151     0.072050    0.049468   -0.003162
      0.000000  0.000000  8.535452    -0.072050   -0.049468    0.003162
      5.690301  0.000000  8.535452     0.072050   -0.049468    0.003162
      0.000000  5.690301  8.535452    -0.072050    0.049468    0.003162
      5.690301  5.690301  8.535452     0.072050    0.049468    0.003162

 127 f  =    3.674707 THz    23.088862 2PiTHz  122.575014 cm-1    15.197370 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.055266    0.096956   -0.066787
      5.690301  0.000000  0.000000     0.055266    0.096956   -0.066787
      0.000000  5.690301  0.000000    -0.055266   -0.096956   -0.066787
      5.690301  5.690301  0.000000     0.055266   -0.096956   -0.066787
      0.000000  0.000000  5.690301    -0.055266    0.096956    0.066787
      5.690301  0.000000  5.690301     0.055266    0.096956    0.066787
      0.000000  5.690301  5.690301    -0.055266   -0.096956    0.066787
      5.690301  5.690301  5.690301     0.055266   -0.096956    0.066787
      0.000000  2.845151  2.845151    -0.055266   -0.077991   -0.000134
      5.690301  2.845151  2.845151     0.055266   -0.077991   -0.000134
      0.000000  8.535452  2.845151    -0.055266    0.077991   -0.000134
      5.690301  8.535452  2.845151     0.055266    0.077991   -0.000134
      0.000000  2.845151  8.535452    -0.055266   -0.077991    0.000134
      5.690301  2.845151  8.535452     0.055266   -0.077991    0.000134
      0.000000  8.535452  8.535452    -0.055266    0.077991    0.000134
      5.690301  8.535452  8.535452     0.055266    0.077991    0.000134
      2.845151  0.000000  2.845151    -0.008450    0.096956   -0.000134
      8.535452  0.000000  2.845151     0.008450    0.096956   -0.000134
      2.845151  5.690301  2.845151    -0.008450   -0.096956   -0.000134
      8.535452  5.690301  2.845151     0.008450   -0.096956   -0.000134
      2.845151  0.000000  8.535452    -0.008450    0.096956    0.000134
      8.535452  0.000000  8.535452     0.008450    0.096956    0.000134
      2.845151  5.690301  8.535452    -0.008450   -0.096956    0.000134
      8.535452  5.690301  8.535452     0.008450   -0.096956    0.000134
      2.845151  2.845151  0.000000    -0.008450   -0.077991   -0.066787
      8.535452  2.845151  0.000000     0.008450   -0.077991   -0.066787
      2.845151  8.535452  0.000000    -0.008450    0.077991   -0.066787
      8.535452  8.535452  0.000000     0.008450    0.077991   -0.066787
      2.845151  2.845151  5.690301    -0.008450   -0.077991    0.066787
      8.535452  2.845151  5.690301     0.008450   -0.077991    0.066787
      2.845151  8.535452  5.690301    -0.008450    0.077991    0.066787
      8.535452  8.535452  5.690301     0.008450    0.077991    0.066787
      2.845151  2.845151  2.845151    -0.011047   -0.101963   -0.000176
      8.535452  2.845151  2.845151     0.011047   -0.101963   -0.000176
      2.845151  8.535452  2.845151    -0.011047    0.101963   -0.000176
      8.535452  8.535452  2.845151     0.011047    0.101963   -0.000176
      2.845151  2.845151  8.535452    -0.011047   -0.101963    0.000176
      8.535452  2.845151  8.535452     0.011047   -0.101963    0.000176
      2.845151  8.535452  8.535452    -0.011047    0.101963    0.000176
      8.535452  8.535452  8.535452     0.011047    0.101963    0.000176
      2.845151  0.000000  0.000000    -0.011047    0.126758   -0.087316
      8.535452  0.000000  0.000000     0.011047    0.126758   -0.087316
      2.845151  5.690301  0.000000    -0.011047   -0.126758   -0.087316
      8.535452  5.690301  0.000000     0.011047   -0.126758   -0.087316
      2.845151  0.000000  5.690301    -0.011047    0.126758    0.087316
      8.535452  0.000000  5.690301     0.011047    0.126758    0.087316
      2.845151  5.690301  5.690301    -0.011047   -0.126758    0.087316
      8.535452  5.690301  5.690301     0.011047   -0.126758    0.087316
      0.000000  2.845151  0.000000    -0.072253   -0.101963   -0.087316
      5.690301  2.845151  0.000000     0.072253   -0.101963   -0.087316
      0.000000  8.535452  0.000000    -0.072253    0.101963   -0.087316
      5.690301  8.535452  0.000000     0.072253    0.101963   -0.087316
      0.000000  2.845151  5.690301    -0.072253   -0.101963    0.087316
      5.690301  2.845151  5.690301     0.072253   -0.101963    0.087316
      0.000000  8.535452  5.690301    -0.072253    0.101963    0.087316
      5.690301  8.535452  5.690301     0.072253    0.101963    0.087316
      0.000000  0.000000  2.845151    -0.072253    0.126758   -0.000176
      5.690301  0.000000  2.845151     0.072253    0.126758   -0.000176
      0.000000  5.690301  2.845151    -0.072253   -0.126758   -0.000176
      5.690301  5.690301  2.845151     0.072253   -0.126758   -0.000176
      0.000000  0.000000  8.535452    -0.072253    0.126758    0.000176
      5.690301  0.000000  8.535452     0.072253    0.126758    0.000176
      0.000000  5.690301  8.535452    -0.072253   -0.126758    0.000176
      5.690301  5.690301  8.535452     0.072253   -0.126758    0.000176

 128 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.025281    0.121101   -0.000035
      5.690301  0.000000  0.000000     0.025281    0.017218    0.022329
      0.000000  5.690301  0.000000     0.060569    0.121101   -0.022329
      5.690301  5.690301  0.000000     0.060569    0.017218    0.000035
      0.000000  0.000000  5.690301    -0.060569   -0.017218   -0.000035
      5.690301  0.000000  5.690301    -0.060569   -0.121101    0.022329
      0.000000  5.690301  5.690301    -0.025281   -0.017218   -0.022329
      5.690301  5.690301  5.690301    -0.025281   -0.121101    0.000035
      0.000000  2.845151  2.845151     0.078498    0.027244    0.013504
      5.690301  2.845151  2.845151     0.078498    0.131127   -0.008860
      0.000000  8.535452  2.845151     0.149924    0.027244    0.008860
      5.690301  8.535452  2.845151     0.149924    0.131127   -0.013504
      0.000000  2.845151  8.535452    -0.149924   -0.131127    0.013504
      5.690301  2.845151  8.535452    -0.149924   -0.027244   -0.008860
      0.000000  8.535452  8.535452    -0.078498   -0.131127    0.008860
      5.690301  8.535452  8.535452    -0.078498   -0.027244   -0.013504
      2.845151  0.000000  2.845151    -0.096567   -0.041201   -0.001177
      8.535452  0.000000  2.845151    -0.096567   -0.117170   -0.021117
      2.845151  5.690301  2.845151    -0.131855   -0.041201    0.021117
      8.535452  5.690301  2.845151    -0.131855   -0.117170    0.001177
      2.845151  0.000000  8.535452     0.131855    0.117170   -0.001177
      8.535452  0.000000  8.535452     0.131855    0.041201   -0.021117
      2.845151  5.690301  8.535452     0.096567    0.117170    0.021117
      8.535452  5.690301  8.535452     0.096567    0.041201    0.001177
      2.845151  2.845151  0.000000    -0.007212   -0.107144   -0.012292
      8.535452  2.845151  0.000000    -0.007212   -0.031175    0.007647
      2.845151  8.535452  0.000000    -0.078638   -0.107144   -0.007647
      8.535452  8.535452  0.000000    -0.078638   -0.031175    0.012292
      2.845151  2.845151  5.690301     0.078638    0.031175   -0.012292
      8.535452  2.845151  5.690301     0.078638    0.107144    0.007647
      2.845151  8.535452  5.690301     0.007212    0.031175   -0.007647
      8.535452  8.535452  5.690301     0.007212    0.107144    0.012292
      2.845151  2.845151  2.845151     0.076583   -0.040196   -0.011992
      8.535452  2.845151  2.845151     0.076583   -0.114312    0.007461
      2.845151  8.535452  2.845151     0.146267   -0.040196   -0.007461
      8.535452  8.535452  2.845151     0.146267   -0.114312    0.011992
      2.845151  2.845151  8.535452    -0.146267    0.114312   -0.011992
      8.535452  2.845151  8.535452    -0.146267    0.040196    0.007461
      2.845151  8.535452  8.535452    -0.076583    0.114312   -0.007461
      8.535452  8.535452  8.535452    -0.076583    0.040196    0.011992
      2.845151  0.000000  0.000000     0.024664   -0.104530   -0.001149
      8.535452  0.000000  0.000000     0.024664   -0.030415   -0.020601
      2.845151  5.690301  0.000000     0.059092   -0.104530    0.020601
      8.535452  5.690301  0.000000     0.059092   -0.030415    0.001149
      2.845151  0.000000  5.690301    -0.059092    0.030415   -0.001149
      8.535452  0.000000  5.690301    -0.059092    0.104530   -0.020601
      2.845151  5.690301  5.690301    -0.024664    0.030415    0.020601
      8.535452  5.690301  5.690301    -0.024664    0.104530    0.001149
      0.000000  2.845151  0.000000    -0.007036    0.118147    0.013175
      5.690301  2.845151  0.000000    -0.007036    0.016798   -0.008644
      0.000000  8.535452  0.000000    -0.076720    0.118147    0.008644
      5.690301  8.535452  0.000000    -0.076720    0.016798   -0.013175
      0.000000  2.845151  5.690301     0.076720   -0.016798    0.013175
      5.690301  2.845151  5.690301     0.076720   -0.118147   -0.008644
      0.000000  8.535452  5.690301     0.007036   -0.016798    0.008644
      5.690301  8.535452  5.690301     0.007036   -0.118147   -0.013175
      0.000000  0.000000  2.845151    -0.094211    0.026579   -0.000034
      5.690301  0.000000  2.845151    -0.094211    0.127928    0.021784
      0.000000  5.690301  2.845151    -0.128638    0.026579   -0.021784
      5.690301  5.690301  2.845151    -0.128638    0.127928    0.000034
      0.000000  0.000000  8.535452     0.128638   -0.127928   -0.000034
      5.690301  0.000000  8.535452     0.128638   -0.026579    0.021784
      0.000000  5.690301  8.535452     0.094211   -0.127928   -0.021784
      5.690301  5.690301  8.535452     0.094211   -0.026579    0.000034

 129 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.070249    0.126214    0.000262
      5.690301  0.000000  0.000000    -0.070249    0.096349    0.034911
      0.000000  5.690301  0.000000    -0.107092    0.126214   -0.034911
      5.690301  5.690301  0.000000    -0.107092    0.096349   -0.000262
      0.000000  0.000000  5.690301     0.107092   -0.096349    0.000262
      5.690301  0.000000  5.690301     0.107092   -0.126214    0.034911
      0.000000  5.690301  5.690301     0.070249   -0.096349   -0.034911
      5.690301  5.690301  5.690301     0.070249   -0.126214   -0.000262
      0.000000  2.845151  2.845151     0.091660   -0.024658   -0.008597
      5.690301  2.845151  2.845151     0.091660    0.005207   -0.043246
      0.000000  8.535452  2.845151    -0.082865   -0.024658    0.043246
      5.690301  8.535452  2.845151    -0.082865    0.005207    0.008597
      0.000000  2.845151  8.535452     0.082865   -0.005207   -0.008597
      5.690301  2.845151  8.535452     0.082865    0.024658   -0.043246
      0.000000  8.535452  8.535452    -0.091660   -0.005207    0.043246
      5.690301  8.535452  8.535452    -0.091660    0.024658    0.008597
      2.845151  0.000000  2.845151    -0.022819   -0.013408   -0.058429
      8.535452  0.000000  2.845151    -0.022819    0.032859    0.023256
      2.845151  5.690301  2.845151     0.014024   -0.013408   -0.023256
      8.535452  5.690301  2.845151     0.014024    0.032859    0.058429
      2.845151  0.000000  8.535452    -0.014024   -0.032859   -0.058429
      8.535452  0.000000  8.535452    -0.014024    0.013408    0.023256
      2.845151  5.690301  8.535452     0.022819   -0.032859   -0.023256
      8.535452  5.690301  8.535452     0.022819    0.013408    0.058429
      2.845151  2.845151  0.000000     0.001408   -0.088149    0.066764
      8.535452  2.845151  0.000000     0.001408   -0.134415   -0.014921
      2.845151  8.535452  0.000000     0.175933   -0.088149    0.014921
      8.535452  8.535452  0.000000     0.175933   -0.134415   -0.066764
      2.845151  2.845151  5.690301    -0.175933    0.134415    0.066764
      8.535452  2.845151  5.690301    -0.175933    0.088149   -0.014921
      2.845151  8.535452  5.690301    -0.001408    0.134415    0.014921
      8.535452  8.535452  5.690301    -0.001408    0.088149   -0.066764
      2.845151  2.845151  2.845151     0.089424   -0.013080    0.065135
      8.535452  2.845151  2.845151     0.089424    0.032057   -0.014557
      2.845151  8.535452  2.845151    -0.080843   -0.013080    0.014557
      8.535452  8.535452  2.845151    -0.080843    0.032057   -0.065135
      2.845151  2.845151  8.535452     0.080843   -0.032057    0.065135
      8.535452  2.845151  8.535452     0.080843    0.013080   -0.014557
      2.845151  8.535452  8.535452    -0.089424   -0.032057    0.014557
      8.535452  8.535452  8.535452    -0.089424    0.013080   -0.065135
      2.845151  0.000000  0.000000    -0.068535   -0.085998   -0.057004
      8.535452  0.000000  0.000000    -0.068535   -0.131136    0.022689
      2.845151  5.690301  0.000000    -0.104479   -0.085998   -0.022689
      8.535452  5.690301  0.000000    -0.104479   -0.131136    0.057004
      2.845151  0.000000  5.690301     0.104479    0.131136   -0.057004
      8.535452  0.000000  5.690301     0.104479    0.085998    0.022689
      2.845151  5.690301  5.690301     0.068535    0.131136   -0.022689
      8.535452  5.690301  5.690301     0.068535    0.085998    0.057004
      0.000000  2.845151  0.000000     0.001374    0.123135   -0.008387
      5.690301  2.845151  0.000000     0.001374    0.093999   -0.042191
      0.000000  8.535452  0.000000     0.171641    0.123135    0.042191
      5.690301  8.535452  0.000000     0.171641    0.093999    0.008387
      0.000000  2.845151  5.690301    -0.171641   -0.093999   -0.008387
      5.690301  2.845151  5.690301    -0.171641   -0.123135   -0.042191
      0.000000  8.535452  5.690301    -0.001374   -0.093999    0.042191
      5.690301  8.535452  5.690301    -0.001374   -0.123135    0.008387
      0.000000  0.000000  2.845151    -0.022262   -0.024056    0.000255
      5.690301  0.000000  2.845151    -0.022262    0.005080    0.034060
      0.000000  5.690301  2.845151     0.013682   -0.024056   -0.034060
      5.690301  5.690301  2.845151     0.013682    0.005080   -0.000255
      0.000000  0.000000  8.535452    -0.013682   -0.005080    0.000255
      5.690301  0.000000  8.535452    -0.013682    0.024056    0.034060
      0.000000  5.690301  8.535452     0.022262   -0.005080   -0.034060
      5.690301  5.690301  8.535452     0.022262    0.024056   -0.000255

 130 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.077503   -0.021980    0.100706
      5.690301  0.000000  0.000000    -0.077503    0.061548   -0.135502
      0.000000  5.690301  0.000000     0.089387   -0.021980    0.135502
      5.690301  5.690301  0.000000     0.089387    0.061548   -0.100706
      0.000000  0.000000  5.690301    -0.089387   -0.061548    0.100706
      5.690301  0.000000  5.690301    -0.089387    0.021980   -0.135502
      0.000000  5.690301  5.690301     0.077503   -0.061548    0.135502
      5.690301  5.690301  5.690301     0.077503    0.021980   -0.100706
      0.000000  2.845151  2.845151     0.037069    0.001669   -0.193783
      5.690301  2.845151  2.845151     0.037069   -0.081860    0.042425
      0.000000  8.535452  2.845151     0.034425    0.001669   -0.042425
      5.690301  8.535452  2.845151     0.034425   -0.081860    0.193783
      0.000000  2.845151  8.535452    -0.034425    0.081860   -0.193783
      5.690301  2.845151  8.535452    -0.034425   -0.001669    0.042425
      0.000000  8.535452  8.535452    -0.037069    0.081860   -0.042425
      5.690301  8.535452  8.535452    -0.037069   -0.001669    0.193783
      2.845151  0.000000  2.845151     0.047698    0.038725    0.012935
      8.535452  0.000000  2.845151     0.047698    0.041467    0.021861
      2.845151  5.690301  2.845151    -0.119193    0.038725   -0.021861
      8.535452  5.690301  2.845151    -0.119193    0.041467   -0.012935
      2.845151  0.000000  8.535452     0.119193   -0.041467    0.012935
      8.535452  0.000000  8.535452     0.119193   -0.038725    0.021861
      2.845151  5.690301  8.535452    -0.047698   -0.041467   -0.021861
      8.535452  5.690301  8.535452    -0.047698   -0.038725   -0.012935
      2.845151  2.845151  0.000000    -0.007264   -0.018413    0.080142
      8.535452  2.845151  0.000000    -0.007264   -0.021155    0.071216
      2.845151  8.535452  0.000000    -0.004620   -0.018413   -0.071216
      8.535452  8.535452  0.000000    -0.004620   -0.021155   -0.080142
      2.845151  2.845151  5.690301     0.004620    0.021155    0.080142
      8.535452  2.845151  5.690301     0.004620    0.018413    0.071216
      2.845151  8.535452  5.690301     0.007264    0.021155   -0.071216
      8.535452  8.535452  5.690301     0.007264    0.018413   -0.080142
      2.845151  2.845151  2.845151     0.036165    0.037780    0.078187
      8.535452  2.845151  2.845151     0.036165    0.040455    0.069478
      2.845151  8.535452  2.845151     0.033586    0.037780   -0.069478
      8.535452  8.535452  2.845151     0.033586    0.040455   -0.078187
      2.845151  2.845151  8.535452    -0.033586   -0.040455    0.078187
      8.535452  2.845151  8.535452    -0.033586   -0.037780    0.069478
      2.845151  8.535452  8.535452    -0.036165   -0.040455   -0.069478
      8.535452  8.535452  8.535452    -0.036165   -0.037780   -0.078187
      2.845151  0.000000  0.000000    -0.075612   -0.017964    0.012620
      8.535452  0.000000  0.000000    -0.075612   -0.020639    0.021328
      2.845151  5.690301  0.000000     0.087207   -0.017964   -0.021328
      8.535452  5.690301  0.000000     0.087207   -0.020639   -0.012620
      2.845151  0.000000  5.690301    -0.087207    0.020639    0.012620
      8.535452  0.000000  5.690301    -0.087207    0.017964    0.021328
      2.845151  5.690301  5.690301     0.075612    0.020639   -0.021328
      8.535452  5.690301  5.690301     0.075612    0.017964   -0.012620
      0.000000  2.845151  0.000000    -0.007087   -0.021444   -0.189055
      5.690301  2.845151  0.000000    -0.007087    0.060047    0.041390
      0.000000  8.535452  0.000000    -0.004507   -0.021444   -0.041390
      5.690301  8.535452  0.000000    -0.004507    0.060047    0.189055
      0.000000  2.845151  5.690301     0.004507   -0.060047   -0.189055
      5.690301  2.845151  5.690301     0.004507    0.021444    0.041390
      0.000000  8.535452  5.690301     0.007087   -0.060047   -0.041390
      5.690301  8.535452  5.690301     0.007087    0.021444    0.189055
      0.000000  0.000000  2.845151     0.046534    0.001628    0.098249
      5.690301  0.000000  2.845151     0.046534   -0.079863   -0.132197
      0.000000  5.690301  2.845151    -0.116285    0.001628    0.132197
      5.690301  5.690301  2.845151    -0.116285   -0.079863   -0.098249
      0.000000  0.000000  8.535452     0.116285    0.079863    0.098249
      5.690301  0.000000  8.535452     0.116285   -0.001628   -0.132197
      0.000000  5.690301  8.535452    -0.046534    0.079863    0.132197
      5.690301  5.690301  8.535452    -0.046534   -0.001628   -0.098249

 131 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.064056   -0.041054   -0.221176
      5.690301  0.000000  0.000000    -0.064056    0.059667   -0.012831
      0.000000  5.690301  0.000000     0.059499   -0.041054    0.012831
      5.690301  5.690301  0.000000     0.059499    0.059667    0.221176
      0.000000  0.000000  5.690301    -0.059499   -0.059667   -0.221176
      5.690301  0.000000  5.690301    -0.059499    0.041054   -0.012831
      0.000000  5.690301  5.690301     0.064056   -0.059667    0.012831
      5.690301  5.690301  5.690301     0.064056    0.041054    0.221176
      0.000000  2.845151  2.845151     0.016806    0.038040    0.082061
      5.690301  2.845151  2.845151     0.016806   -0.062681   -0.126284
      0.000000  8.535452  2.845151     0.019177    0.038040    0.126284
      5.690301  8.535452  2.845151     0.019177   -0.062681   -0.082061
      0.000000  2.845151  8.535452    -0.019177    0.062681    0.082061
      5.690301  2.845151  8.535452    -0.019177   -0.038040   -0.126284
      0.000000  8.535452  8.535452    -0.016806    0.062681    0.126284
      5.690301  8.535452  8.535452    -0.016806   -0.038040   -0.082061
      2.845151  0.000000  2.845151     0.043786    0.015625    0.109340
      8.535452  0.000000  2.845151     0.043786    0.009016    0.124667
      2.845151  5.690301  2.845151    -0.079769    0.015625   -0.124667
      8.535452  5.690301  2.845151    -0.079769    0.009016   -0.109340
      2.845151  0.000000  8.535452     0.079769   -0.009016    0.109340
      8.535452  0.000000  8.535452     0.079769   -0.015625    0.124667
      2.845151  5.690301  8.535452    -0.043786   -0.009016   -0.124667
      8.535452  5.690301  8.535452    -0.043786   -0.015625   -0.109340
      2.845151  2.845151  0.000000     0.003464   -0.012611    0.029775
      8.535452  2.845151  0.000000     0.003464   -0.006002    0.014448
      2.845151  8.535452  0.000000     0.001093   -0.012611   -0.014448
      8.535452  8.535452  0.000000     0.001093   -0.006002   -0.029775
      2.845151  2.845151  5.690301    -0.001093    0.006002    0.029775
      8.535452  2.845151  5.690301    -0.001093    0.012611    0.014448
      2.845151  8.535452  5.690301    -0.003464    0.006002   -0.014448
      8.535452  8.535452  5.690301    -0.003464    0.012611   -0.029775
      2.845151  2.845151  2.845151     0.016396    0.015244    0.029049
      8.535452  2.845151  2.845151     0.016396    0.008796    0.014096
      2.845151  8.535452  2.845151     0.018709    0.015244   -0.014096
      8.535452  8.535452  2.845151     0.018709    0.008796   -0.029049
      2.845151  2.845151  8.535452    -0.018709   -0.008796    0.029049
      8.535452  2.845151  8.535452    -0.018709   -0.015244    0.014096
      2.845151  8.535452  8.535452    -0.016396   -0.008796   -0.014096
      8.535452  8.535452  8.535452    -0.016396   -0.015244   -0.029049
      2.845151  0.000000  0.000000    -0.062493   -0.012303    0.106672
      8.535452  0.000000  0.000000    -0.062493   -0.005856    0.121626
      2.845151  5.690301  0.000000     0.058048   -0.012303   -0.121626
      8.535452  5.690301  0.000000     0.058048   -0.005856   -0.106672
      2.845151  0.000000  5.690301    -0.058048    0.005856    0.106672
      8.535452  0.000000  5.690301    -0.058048    0.012303    0.121626
      2.845151  5.690301  5.690301     0.062493    0.005856   -0.121626
      8.535452  5.690301  5.690301     0.062493    0.012303   -0.106672
      0.000000  2.845151  0.000000     0.003379   -0.040052    0.080059
      5.690301  2.845151  0.000000     0.003379    0.058212   -0.123203
      0.000000  8.535452  0.000000     0.001067   -0.040052    0.123203
      5.690301  8.535452  0.000000     0.001067    0.058212   -0.080059
      0.000000  2.845151  5.690301    -0.001067   -0.058212    0.080059
      5.690301  2.845151  5.690301    -0.001067    0.040052   -0.123203
      0.000000  8.535452  5.690301    -0.003379   -0.058212    0.123203
      5.690301  8.535452  5.690301    -0.003379    0.040052   -0.080059
      0.000000  0.000000  2.845151     0.042718    0.037112   -0.215780
      5.690301  0.000000  2.845151     0.042718   -0.061152   -0.012518
      0.000000  5.690301  2.845151    -0.077823    0.037112    0.012518
      5.690301  5.690301  2.845151    -0.077823   -0.061152    0.215780
      0.000000  0.000000  8.535452     0.077823    0.061152   -0.215780
      5.690301  0.000000  8.535452     0.077823   -0.037112   -0.012518
      0.000000  5.690301  8.535452    -0.042718    0.061152    0.012518
      5.690301  5.690301  8.535452    -0.042718   -0.037112    0.215780

 132 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.101774    0.033194    0.006245
      5.690301  0.000000  0.000000    -0.101774    0.002038   -0.054041
      0.000000  5.690301  0.000000     0.006771    0.033194    0.054041
      5.690301  5.690301  0.000000     0.006771    0.002038   -0.006245
      0.000000  0.000000  5.690301    -0.006771   -0.002038    0.006245
      5.690301  0.000000  5.690301    -0.006771   -0.033194   -0.054041
      0.000000  5.690301  5.690301     0.101774   -0.002038    0.054041
      5.690301  5.690301  5.690301     0.101774   -0.033194   -0.006245
      0.000000  2.845151  2.845151    -0.017670   -0.011098    0.047537
      5.690301  2.845151  2.845151    -0.017670    0.020059    0.107823
      0.000000  8.535452  2.845151    -0.068973   -0.011098   -0.107823
      5.690301  8.535452  2.845151    -0.068973    0.020059   -0.047537
      0.000000  2.845151  8.535452     0.068973   -0.020059    0.047537
      5.690301  2.845151  8.535452     0.068973    0.011098    0.107823
      0.000000  8.535452  8.535452     0.017670   -0.020059   -0.107823
      5.690301  8.535452  8.535452     0.017670    0.011098   -0.047537
      2.845151  0.000000  2.845151     0.097594    0.116092    0.064645
      8.535452  0.000000  2.845151     0.097594   -0.125052   -0.016849
      2.845151  5.690301  2.845151    -0.010951    0.116092    0.016849
      8.535452  5.690301  2.845151    -0.010951   -0.125052   -0.064645
      2.845151  0.000000  8.535452     0.010951    0.125052    0.064645
      8.535452  0.000000  8.535452     0.010951   -0.116092   -0.016849
      2.845151  5.690301  8.535452    -0.097594    0.125052    0.016849
      8.535452  5.690301  8.535452    -0.097594   -0.116092   -0.064645
      2.845151  2.845151  0.000000     0.021850   -0.138188   -0.118427
      8.535452  2.845151  0.000000     0.021850    0.102956   -0.036933
      2.845151  8.535452  0.000000     0.073153   -0.138188    0.036933
      8.535452  8.535452  0.000000     0.073153    0.102956    0.118427
      2.845151  2.845151  5.690301    -0.073153   -0.102956   -0.118427
      8.535452  2.845151  5.690301    -0.073153    0.138188   -0.036933
      2.845151  8.535452  5.690301    -0.021850   -0.102956    0.036933
      8.535452  8.535452  5.690301    -0.021850    0.138188    0.118427
      2.845151  2.845151  2.845151    -0.017238    0.113260   -0.115538
      8.535452  2.845151  2.845151    -0.017238   -0.122002   -0.036032
      2.845151  8.535452  2.845151    -0.067291    0.113260    0.036032
      8.535452  8.535452  2.845151    -0.067291   -0.122002    0.115538
      2.845151  2.845151  8.535452     0.067291    0.122002   -0.115538
      8.535452  2.845151  8.535452     0.067291   -0.113260   -0.036032
      2.845151  8.535452  8.535452     0.017238    0.122002    0.036032
      8.535452  8.535452  8.535452     0.017238   -0.113260    0.115538
      2.845151  0.000000  0.000000    -0.099291   -0.134817    0.063068
      8.535452  0.000000  0.000000    -0.099291    0.100444   -0.016438
      2.845151  5.690301  0.000000     0.006606   -0.134817    0.016438
      8.535452  5.690301  0.000000     0.006606    0.100444   -0.063068
      2.845151  0.000000  5.690301    -0.006606   -0.100444    0.063068
      8.535452  0.000000  5.690301    -0.006606    0.134817   -0.016438
      2.845151  5.690301  5.690301     0.099291   -0.100444    0.016438
      8.535452  5.690301  5.690301     0.099291    0.134817   -0.063068
      0.000000  2.845151  0.000000     0.021317    0.032385    0.046377
      5.690301  2.845151  0.000000     0.021317    0.001988    0.105193
      0.000000  8.535452  0.000000     0.071369    0.032385   -0.105193
      5.690301  8.535452  0.000000     0.071369    0.001988   -0.046377
      0.000000  2.845151  5.690301    -0.071369   -0.001988    0.046377
      5.690301  2.845151  5.690301    -0.071369   -0.032385    0.105193
      0.000000  8.535452  5.690301    -0.021317   -0.001988   -0.105193
      5.690301  8.535452  5.690301    -0.021317   -0.032385   -0.046377
      0.000000  0.000000  2.845151     0.095213   -0.010827    0.006093
      5.690301  0.000000  2.845151     0.095213    0.019569   -0.052723
      0.000000  5.690301  2.845151    -0.010684   -0.010827    0.052723
      5.690301  5.690301  2.845151    -0.010684    0.019569   -0.006093
      0.000000  0.000000  8.535452     0.010684   -0.019569    0.006093
      5.690301  0.000000  8.535452     0.010684    0.010827   -0.052723
      0.000000  5.690301  8.535452    -0.095213   -0.019569    0.052723
      5.690301  5.690301  8.535452    -0.095213    0.010827   -0.006093

 133 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.084905   -0.105916    0.069751
      5.690301  0.000000  0.000000    -0.084905    0.099522    0.159185
      0.000000  5.690301  0.000000     0.044928   -0.105916   -0.159185
      5.690301  5.690301  0.000000     0.044928    0.099522   -0.069751
      0.000000  0.000000  5.690301    -0.044928   -0.099522    0.069751
      5.690301  0.000000  5.690301    -0.044928    0.105916    0.159185
      0.000000  5.690301  5.690301     0.084905   -0.099522   -0.159185
      5.690301  5.690301  5.690301     0.084905    0.105916   -0.069751
      0.000000  2.845151  2.845151     0.009995    0.114076    0.077912
      5.690301  2.845151  2.845151     0.009995   -0.091363   -0.011521
      0.000000  8.535452  2.845151     0.029229    0.114076    0.011521
      5.690301  8.535452  2.845151     0.029229   -0.091363   -0.077912
      0.000000  2.845151  8.535452    -0.029229    0.091363    0.077912
      5.690301  2.845151  8.535452    -0.029229   -0.114076   -0.011521
      0.000000  8.535452  8.535452    -0.009995    0.091363    0.011521
      5.690301  8.535452  8.535452    -0.009995   -0.114076   -0.077912
      2.845151  0.000000  2.845151     0.045305   -0.011533   -0.120469
      8.535452  0.000000  2.845151     0.045305   -0.011179   -0.108467
      2.845151  5.690301  2.845151    -0.084528   -0.011533    0.108467
      8.535452  5.690301  2.845151    -0.084528   -0.011179    0.120469
      2.845151  0.000000  8.535452     0.084528    0.011179   -0.120469
      8.535452  0.000000  8.535452     0.084528    0.011533   -0.108467
      2.845151  5.690301  8.535452    -0.045305    0.011179    0.108467
      8.535452  5.690301  8.535452    -0.045305    0.011533    0.120469
      2.845151  2.845151  0.000000     0.029605    0.003374   -0.027195
      8.535452  2.845151  0.000000     0.029605    0.003020   -0.039196
      2.845151  8.535452  0.000000     0.010371    0.003374    0.039196
      8.535452  8.535452  0.000000     0.010371    0.003020    0.027195
      2.845151  2.845151  5.690301    -0.010371   -0.003020   -0.027195
      8.535452  2.845151  5.690301    -0.010371   -0.003374   -0.039196
      2.845151  8.535452  5.690301    -0.029605   -0.003020    0.039196
      8.535452  8.535452  5.690301    -0.029605   -0.003374    0.027195
      2.845151  2.845151  2.845151     0.009751   -0.011252   -0.026531
      8.535452  2.845151  2.845151     0.009751   -0.010907   -0.038240
      2.845151  8.535452  2.845151     0.028516   -0.011252    0.038240
      8.535452  8.535452  2.845151     0.028516   -0.010907    0.026531
      2.845151  2.845151  8.535452    -0.028516    0.010907   -0.026531
      8.535452  2.845151  8.535452    -0.028516    0.011252   -0.038240
      2.845151  8.535452  8.535452    -0.009751    0.010907    0.038240
      8.535452  8.535452  8.535452    -0.009751    0.011252    0.026531
      2.845151  0.000000  0.000000    -0.082833    0.003292   -0.117530
      8.535452  0.000000  0.000000    -0.082833    0.002946   -0.105821
      2.845151  5.690301  0.000000     0.043832    0.003292    0.105821
      8.535452  5.690301  0.000000     0.043832    0.002946    0.117530
      2.845151  0.000000  5.690301    -0.043832   -0.002946   -0.117530
      8.535452  0.000000  5.690301    -0.043832   -0.003292   -0.105821
      2.845151  5.690301  5.690301     0.082833   -0.002946    0.105821
      8.535452  5.690301  5.690301     0.082833   -0.003292    0.117530
      0.000000  2.845151  0.000000     0.028883   -0.103332    0.076012
      5.690301  2.845151  0.000000     0.028883    0.097094   -0.011240
      0.000000  8.535452  0.000000     0.010118   -0.103332    0.011240
      5.690301  8.535452  0.000000     0.010118    0.097094   -0.076012
      0.000000  2.845151  5.690301    -0.010118   -0.097094    0.076012
      5.690301  2.845151  5.690301    -0.010118    0.103332   -0.011240
      0.000000  8.535452  5.690301    -0.028883   -0.097094    0.011240
      5.690301  8.535452  5.690301    -0.028883    0.103332   -0.076012
      0.000000  0.000000  2.845151     0.044199    0.111293    0.068049
      5.690301  0.000000  2.845151     0.044199   -0.089134    0.155301
      0.000000  5.690301  2.845151    -0.082466    0.111293   -0.155301
      5.690301  5.690301  2.845151    -0.082466   -0.089134   -0.068049
      0.000000  0.000000  8.535452     0.082466    0.089134    0.068049
      5.690301  0.000000  8.535452     0.082466   -0.111293    0.155301
      0.000000  5.690301  8.535452    -0.044199    0.089134   -0.155301
      5.690301  5.690301  8.535452    -0.044199   -0.111293   -0.068049

 134 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.095904    0.064965   -0.000866
      5.690301  0.000000  0.000000    -0.095904   -0.113251    0.097005
      0.000000  5.690301  0.000000    -0.006296    0.064965   -0.097005
      5.690301  5.690301  0.000000    -0.006296   -0.113251    0.000866
      0.000000  0.000000  5.690301     0.006296    0.113251   -0.000866
      5.690301  0.000000  5.690301     0.006296   -0.064965    0.097005
      0.000000  5.690301  5.690301     0.095904    0.113251   -0.097005
      5.690301  5.690301  5.690301     0.095904   -0.064965    0.000866
      0.000000  2.845151  2.845151    -0.073012   -0.153611   -0.019786
      5.690301  2.845151  2.845151    -0.073012    0.024605   -0.117658
      0.000000  8.535452  2.845151     0.057467   -0.153611    0.117658
      5.690301  8.535452  2.845151     0.057467    0.024605    0.019786
      0.000000  2.845151  8.535452    -0.057467   -0.024605   -0.019786
      5.690301  2.845151  8.535452    -0.057467    0.153611   -0.117658
      0.000000  8.535452  8.535452     0.073012   -0.024605    0.117658
      5.690301  8.535452  8.535452     0.073012    0.153611    0.019786
      2.845151  0.000000  2.845151     0.052577    0.095721   -0.048016
      8.535452  0.000000  2.845151     0.052577    0.033286   -0.048124
      2.845151  5.690301  2.845151    -0.037032    0.095721    0.048124
      8.535452  5.690301  2.845151    -0.037032    0.033286    0.048016
      2.845151  0.000000  8.535452     0.037032   -0.033286   -0.048016
      8.535452  0.000000  8.535452     0.037032   -0.095721   -0.048124
      2.845151  5.690301  8.535452    -0.052577   -0.033286    0.048124
      8.535452  5.690301  8.535452    -0.052577   -0.095721    0.048016
      2.845151  2.845151  0.000000     0.116339   -0.007075    0.068668
      8.535452  2.845151  0.000000     0.116339    0.055360    0.068776
      2.845151  8.535452  0.000000    -0.014140   -0.007075   -0.068776
      8.535452  8.535452  0.000000    -0.014140    0.055360   -0.068668
      2.845151  2.845151  5.690301     0.014140   -0.055360    0.068668
      8.535452  2.845151  5.690301     0.014140    0.007075    0.068776
      2.845151  8.535452  5.690301    -0.116339   -0.055360   -0.068776
      8.535452  8.535452  5.690301    -0.116339    0.007075   -0.068668
      2.845151  2.845151  2.845151    -0.071231    0.093385    0.066993
      8.535452  2.845151  2.845151    -0.071231    0.032474    0.067098
      2.845151  8.535452  2.845151     0.056065    0.093385   -0.067098
      8.535452  8.535452  2.845151     0.056065    0.032474   -0.066993
      2.845151  2.845151  8.535452    -0.056065   -0.032474    0.066993
      8.535452  2.845151  8.535452    -0.056065   -0.093385    0.067098
      2.845151  8.535452  8.535452     0.071231   -0.032474   -0.067098
      8.535452  8.535452  8.535452     0.071231   -0.093385   -0.066993
      2.845151  0.000000  0.000000    -0.093564   -0.006902   -0.046844
      8.535452  0.000000  0.000000    -0.093564    0.054010   -0.046950
      2.845151  5.690301  0.000000    -0.006142   -0.006902    0.046950
      8.535452  5.690301  0.000000    -0.006142    0.054010    0.046844
      2.845151  0.000000  5.690301     0.006142   -0.054010   -0.046844
      8.535452  0.000000  5.690301     0.006142    0.006902   -0.046950
      2.845151  5.690301  5.690301     0.093564   -0.054010    0.046950
      8.535452  5.690301  5.690301     0.093564    0.006902    0.046844
      0.000000  2.845151  0.000000     0.113501    0.063381   -0.019304
      5.690301  2.845151  0.000000     0.113501   -0.110488   -0.114787
      0.000000  8.535452  0.000000    -0.013795    0.063381    0.114787
      5.690301  8.535452  0.000000    -0.013795   -0.110488    0.019304
      0.000000  2.845151  5.690301     0.013795    0.110488   -0.019304
      5.690301  2.845151  5.690301     0.013795   -0.063381   -0.114787
      0.000000  8.535452  5.690301    -0.113501    0.110488    0.114787
      5.690301  8.535452  5.690301    -0.113501   -0.063381    0.019304
      0.000000  0.000000  2.845151     0.051294   -0.149864   -0.000845
      5.690301  0.000000  2.845151     0.051294    0.024005    0.094639
      0.000000  5.690301  2.845151    -0.036128   -0.149864   -0.094639
      5.690301  5.690301  2.845151    -0.036128    0.024005    0.000845
      0.000000  0.000000  8.535452     0.036128   -0.024005   -0.000845
      5.690301  0.000000  8.535452     0.036128    0.149864    0.094639
      0.000000  5.690301  8.535452    -0.051294   -0.024005   -0.094639
      5.690301  5.690301  8.535452    -0.051294    0.149864    0.000845

 135 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.122893   -0.010770    0.000212
      5.690301  0.000000  0.000000    -0.122893   -0.018036   -0.055557
      0.000000  5.690301  0.000000    -0.067878   -0.010770    0.055557
      5.690301  5.690301  0.000000    -0.067878   -0.018036   -0.000212
      0.000000  0.000000  5.690301     0.067878    0.018036    0.000212
      5.690301  0.000000  5.690301     0.067878    0.010770   -0.055557
      0.000000  5.690301  5.690301     0.122893    0.018036    0.055557
      5.690301  5.690301  5.690301     0.122893    0.010770   -0.000212
      0.000000  2.845151  2.845151    -0.094875    0.104215   -0.032950
      5.690301  2.845151  2.845151    -0.094875    0.111481    0.022819
      0.000000  8.535452  2.845151     0.033172    0.104215   -0.022819
      5.690301  8.535452  2.845151     0.033172    0.111481    0.032950
      0.000000  2.845151  8.535452    -0.033172   -0.111481   -0.032950
      5.690301  2.845151  8.535452    -0.033172   -0.104215    0.022819
      0.000000  8.535452  8.535452     0.094875   -0.111481   -0.022819
      5.690301  8.535452  8.535452     0.094875   -0.104215    0.032950
      2.845151  0.000000  2.845151     0.058359   -0.168448    0.032438
      8.535452  0.000000  2.845151     0.058359   -0.047249    0.022908
      2.845151  5.690301  2.845151     0.003344   -0.168448   -0.022908
      8.535452  5.690301  2.845151     0.003344   -0.047249   -0.032438
      2.845151  0.000000  8.535452    -0.003344    0.047249    0.032438
      8.535452  0.000000  8.535452    -0.003344    0.168448    0.022908
      2.845151  5.690301  8.535452    -0.058359    0.047249   -0.022908
      8.535452  5.690301  8.535452    -0.058359    0.168448   -0.032438
      2.845151  2.845151  0.000000     0.159409    0.075003    0.000300
      8.535452  2.845151  0.000000     0.159409   -0.046197    0.009831
      2.845151  8.535452  0.000000     0.031362    0.075003   -0.009831
      8.535452  8.535452  0.000000     0.031362   -0.046197   -0.000300
      2.845151  2.845151  5.690301    -0.031362    0.046197    0.000300
      8.535452  2.845151  5.690301    -0.031362   -0.075003    0.009831
      2.845151  8.535452  5.690301    -0.159409    0.046197   -0.009831
      8.535452  8.535452  5.690301    -0.159409   -0.075003   -0.000300
      2.845151  2.845151  2.845151    -0.092560   -0.164338    0.000293
      8.535452  2.845151  2.845151    -0.092560   -0.046096    0.009591
      2.845151  8.535452  2.845151     0.032362   -0.164338   -0.009591
      8.535452  8.535452  2.845151     0.032362   -0.046096   -0.000293
      2.845151  2.845151  8.535452    -0.032362    0.046096    0.000293
      8.535452  2.845151  8.535452    -0.032362    0.164338    0.009591
      2.845151  8.535452  8.535452     0.092560    0.046096   -0.009591
      8.535452  8.535452  8.535452     0.092560    0.164338   -0.000293
      2.845151  0.000000  0.000000    -0.119894    0.073173    0.031646
      8.535452  0.000000  0.000000    -0.119894   -0.045070    0.022349
      2.845151  5.690301  0.000000    -0.066222    0.073173   -0.022349
      8.535452  5.690301  0.000000    -0.066222   -0.045070   -0.031646
      2.845151  0.000000  5.690301     0.066222    0.045070    0.031646
      8.535452  0.000000  5.690301     0.066222   -0.073173    0.022349
      2.845151  5.690301  5.690301     0.119894    0.045070   -0.022349
      8.535452  5.690301  5.690301     0.119894   -0.073173   -0.031646
      0.000000  2.845151  0.000000     0.155520   -0.010507   -0.032146
      5.690301  2.845151  0.000000     0.155520   -0.017596    0.022262
      0.000000  8.535452  0.000000     0.030597   -0.010507   -0.022262
      5.690301  8.535452  0.000000     0.030597   -0.017596    0.032146
      0.000000  2.845151  5.690301    -0.030597    0.017596   -0.032146
      5.690301  2.845151  5.690301    -0.030597    0.010507    0.022262
      0.000000  8.535452  5.690301    -0.155520    0.017596   -0.022262
      5.690301  8.535452  5.690301    -0.155520    0.010507    0.032146
      0.000000  0.000000  2.845151     0.056935    0.101673    0.000206
      5.690301  0.000000  2.845151     0.056935    0.108761   -0.054202
      0.000000  5.690301  2.845151     0.003263    0.101673    0.054202
      5.690301  5.690301  2.845151     0.003263    0.108761   -0.000206
      0.000000  0.000000  8.535452    -0.003263   -0.108761    0.000206
      5.690301  0.000000  8.535452    -0.003263   -0.101673   -0.054202
      0.000000  5.690301  8.535452    -0.056935   -0.108761    0.054202
      5.690301  5.690301  8.535452    -0.056935   -0.101673   -0.000206

 136 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.009107   -0.091539    0.002724
      5.690301  0.000000  0.000000    -0.009107   -0.077574   -0.013802
      0.000000  5.690301  0.000000    -0.051390   -0.091539    0.013802
      5.690301  5.690301  0.000000    -0.051390   -0.077574   -0.002724
      0.000000  0.000000  5.690301     0.051390    0.077574    0.002724
      5.690301  0.000000  5.690301     0.051390    0.091539   -0.013802
      0.000000  5.690301  5.690301     0.009107    0.077574    0.013802
      5.690301  5.690301  5.690301     0.009107    0.091539   -0.002724
      0.000000  2.845151  2.845151     0.077211    0.046651   -0.033147
      5.690301  2.845151  2.845151     0.077211    0.032686   -0.016622
      0.000000  8.535452  2.845151     0.006175    0.046651    0.016622
      5.690301  8.535452  2.845151     0.006175    0.032686    0.033147
      0.000000  2.845151  8.535452    -0.006175   -0.032686   -0.033147
      5.690301  2.845151  8.535452    -0.006175   -0.046651   -0.016622
      0.000000  8.535452  8.535452    -0.077211   -0.032686    0.016622
      5.690301  8.535452  8.535452    -0.077211   -0.046651    0.033147
      2.845151  0.000000  2.845151    -0.062834    0.029171   -0.110352
      8.535452  0.000000  2.845151    -0.062834   -0.108508    0.121430
      2.845151  5.690301  2.845151    -0.020552    0.029171   -0.121430
      8.535452  5.690301  2.845151    -0.020552   -0.108508    0.110352
      2.845151  0.000000  8.535452     0.020552    0.108508   -0.110352
      8.535452  0.000000  8.535452     0.020552   -0.029171    0.121430
      2.845151  5.690301  8.535452     0.062834    0.108508   -0.121430
      8.535452  5.690301  8.535452     0.062834   -0.029171    0.110352
      2.845151  2.845151  0.000000    -0.005270    0.015717    0.140776
      8.535452  2.845151  0.000000    -0.005270    0.153396   -0.091007
      2.845151  8.535452  0.000000     0.065767    0.015717    0.091007
      8.535452  8.535452  0.000000     0.065767    0.153396   -0.140776
      2.845151  2.845151  5.690301    -0.065767   -0.153396    0.140776
      8.535452  2.845151  5.690301    -0.065767   -0.015717   -0.091007
      2.845151  8.535452  5.690301     0.005270   -0.153396    0.091007
      8.535452  8.535452  5.690301     0.005270   -0.015717   -0.140776
      2.845151  2.845151  2.845151     0.075327    0.028459    0.137341
      8.535452  2.845151  2.845151     0.075327   -0.105860   -0.088786
      2.845151  8.535452  2.845151     0.006024    0.028459    0.088786
      8.535452  8.535452  2.845151     0.006024   -0.105860   -0.137341
      2.845151  2.845151  8.535452    -0.006024    0.105860    0.137341
      8.535452  2.845151  8.535452    -0.006024   -0.028459   -0.088786
      2.845151  8.535452  8.535452    -0.075327    0.105860    0.088786
      8.535452  8.535452  8.535452    -0.075327   -0.028459   -0.137341
      2.845151  0.000000  0.000000    -0.008885    0.015334   -0.107660
      8.535452  0.000000  0.000000    -0.008885    0.149653    0.118468
      2.845151  5.690301  0.000000    -0.050136    0.015334   -0.118468
      8.535452  5.690301  0.000000    -0.050136    0.149653    0.107660
      2.845151  0.000000  5.690301     0.050136   -0.149653   -0.107660
      8.535452  0.000000  5.690301     0.050136   -0.015334    0.118468
      2.845151  5.690301  5.690301     0.008885   -0.149653   -0.118468
      8.535452  5.690301  5.690301     0.008885   -0.015334    0.107660
      0.000000  2.845151  0.000000    -0.005141   -0.089305   -0.032339
      5.690301  2.845151  0.000000    -0.005141   -0.075682   -0.016216
      0.000000  8.535452  0.000000     0.064162   -0.089305    0.016216
      5.690301  8.535452  0.000000     0.064162   -0.075682    0.032339
      0.000000  2.845151  5.690301    -0.064162    0.075682   -0.032339
      5.690301  2.845151  5.690301    -0.064162    0.089305   -0.016216
      0.000000  8.535452  5.690301     0.005141    0.075682    0.016216
      5.690301  8.535452  5.690301     0.005141    0.089305    0.032339
      0.000000  0.000000  2.845151    -0.061301    0.045513    0.002657
      5.690301  0.000000  2.845151    -0.061301    0.031889   -0.013465
      0.000000  5.690301  2.845151    -0.020050    0.045513    0.013465
      5.690301  5.690301  2.845151    -0.020050    0.031889   -0.002657
      0.000000  0.000000  8.535452     0.020050   -0.031889    0.002657
      5.690301  0.000000  8.535452     0.020050   -0.045513   -0.013465
      0.000000  5.690301  8.535452     0.061301   -0.031889    0.013465
      5.690301  5.690301  8.535452     0.061301   -0.045513   -0.002657

 137 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.060105   -0.000949    0.000060
      5.690301  0.000000  0.000000    -0.060105   -0.128413    0.025722
      0.000000  5.690301  0.000000     0.094292   -0.000949   -0.025722
      5.690301  5.690301  0.000000     0.094292   -0.128413   -0.000060
      0.000000  0.000000  5.690301    -0.094292    0.128413    0.000060
      5.690301  0.000000  5.690301    -0.094292    0.000949    0.025722
      0.000000  5.690301  5.690301     0.060105    0.128413   -0.025722
      5.690301  5.690301  5.690301     0.060105    0.000949   -0.000060
      0.000000  2.845151  2.845151     0.125793   -0.035817    0.018738
      5.690301  2.845151  2.845151     0.125793    0.091647   -0.006924
      0.000000  8.535452  2.845151    -0.088999   -0.035817    0.006924
      5.690301  8.535452  2.845151    -0.088999    0.091647   -0.018738
      0.000000  2.845151  8.535452     0.088999   -0.091647    0.018738
      5.690301  2.845151  8.535452     0.088999    0.035817   -0.006924
      0.000000  8.535452  8.535452    -0.125793   -0.091647    0.006924
      5.690301  8.535452  8.535452    -0.125793    0.035817   -0.018738
      2.845151  0.000000  2.845151     0.058802   -0.083001    0.025484
      8.535452  0.000000  2.845151     0.058802    0.027172   -0.051267
      2.845151  5.690301  2.845151    -0.095596   -0.083001    0.051267
      8.535452  5.690301  2.845151    -0.095596    0.027172   -0.025484
      2.845151  0.000000  8.535452     0.095596   -0.027172    0.025484
      8.535452  0.000000  8.535452     0.095596    0.083001   -0.051267
      2.845151  5.690301  8.535452    -0.058802   -0.027172    0.051267
      8.535452  5.690301  8.535452    -0.058802    0.083001   -0.025484
      2.845151  2.845151  0.000000    -0.124489    0.119767   -0.044282
      8.535452  2.845151  0.000000    -0.124489    0.009594    0.032469
      2.845151  8.535452  0.000000     0.090303    0.119767   -0.032469
      8.535452  8.535452  0.000000     0.090303    0.009594    0.044282
      2.845151  2.845151  5.690301    -0.090303   -0.009594   -0.044282
      8.535452  2.845151  5.690301    -0.090303   -0.119767    0.032469
      2.845151  8.535452  5.690301     0.124489   -0.009594   -0.032469
      8.535452  8.535452  5.690301     0.124489   -0.119767    0.044282
      2.845151  2.845151  2.845151     0.122724   -0.080976   -0.043202
      8.535452  2.845151  2.845151     0.122724    0.026509    0.031677
      2.845151  8.535452  2.845151    -0.086828   -0.080976   -0.031677
      8.535452  8.535452  2.845151    -0.086828    0.026509    0.043202
      2.845151  2.845151  8.535452     0.086828   -0.026509   -0.043202
      8.535452  2.845151  8.535452     0.086828    0.080976    0.031677
      2.845151  8.535452  8.535452    -0.122724   -0.026509   -0.031677
      8.535452  8.535452  8.535452    -0.122724    0.080976    0.043202
      2.845151  0.000000  0.000000    -0.058639    0.116845    0.024862
      8.535452  0.000000  0.000000    -0.058639    0.009360   -0.050016
      2.845151  5.690301  0.000000     0.091992    0.116845    0.050016
      8.535452  5.690301  0.000000     0.091992    0.009360   -0.024862
      2.845151  0.000000  5.690301    -0.091992   -0.009360    0.024862
      8.535452  0.000000  5.690301    -0.091992   -0.116845   -0.050016
      2.845151  5.690301  5.690301     0.058639   -0.009360    0.050016
      8.535452  5.690301  5.690301     0.058639   -0.116845   -0.024862
      0.000000  2.845151  0.000000    -0.121452   -0.000926    0.018281
      5.690301  2.845151  0.000000    -0.121452   -0.125280   -0.006755
      0.000000  8.535452  0.000000     0.088100   -0.000926    0.006755
      5.690301  8.535452  0.000000     0.088100   -0.125280   -0.018281
      0.000000  2.845151  5.690301    -0.088100    0.125280    0.018281
      5.690301  2.845151  5.690301    -0.088100    0.000926   -0.006755
      0.000000  8.535452  5.690301     0.121452    0.125280    0.006755
      5.690301  8.535452  5.690301     0.121452    0.000926   -0.018281
      0.000000  0.000000  2.845151     0.057367   -0.034943    0.000059
      5.690301  0.000000  2.845151     0.057367    0.089411    0.025095
      0.000000  5.690301  2.845151    -0.093263   -0.034943   -0.025095
      5.690301  5.690301  2.845151    -0.093263    0.089411   -0.000059
      0.000000  0.000000  8.535452     0.093263   -0.089411    0.000059
      5.690301  0.000000  8.535452     0.093263    0.034943    0.025095
      0.000000  5.690301  8.535452    -0.057367   -0.089411   -0.025095
      5.690301  5.690301  8.535452    -0.057367    0.034943   -0.000059

 138 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.051495    0.020322   -0.001686
      5.690301  0.000000  0.000000    -0.051495   -0.038113   -0.045549
      0.000000  5.690301  0.000000    -0.015269    0.020322    0.045549
      5.690301  5.690301  0.000000    -0.015269   -0.038113    0.001686
      0.000000  0.000000  5.690301     0.015269    0.038113   -0.001686
      5.690301  0.000000  5.690301     0.015269   -0.020322   -0.045549
      0.000000  5.690301  5.690301     0.051495    0.038113    0.045549
      5.690301  5.690301  5.690301     0.051495   -0.020322    0.001686
      0.000000  2.845151  2.845151     0.033567   -0.100429    0.089093
      5.690301  2.845151  2.845151     0.033567   -0.041994    0.132957
      0.000000  8.535452  2.845151     0.098356   -0.100429   -0.132957
      5.690301  8.535452  2.845151     0.098356   -0.041994   -0.089093
      0.000000  2.845151  8.535452    -0.098356    0.041994    0.089093
      5.690301  2.845151  8.535452    -0.098356    0.100429    0.132957
      0.000000  8.535452  8.535452    -0.033567    0.041994   -0.132957
      5.690301  8.535452  8.535452    -0.033567    0.100429   -0.089093
      2.845151  0.000000  2.845151    -0.047848    0.017126   -0.030090
      8.535452  0.000000  2.845151    -0.047848    0.125296    0.077326
      2.845151  5.690301  2.845151    -0.084074    0.017126   -0.077326
      8.535452  5.690301  2.845151    -0.084074    0.125296    0.030090
      2.845151  0.000000  8.535452     0.084074   -0.125296   -0.030090
      8.535452  0.000000  8.535452     0.084074   -0.017126    0.077326
      2.845151  5.690301  8.535452     0.047848   -0.125296   -0.077326
      8.535452  5.690301  8.535452     0.047848   -0.017126    0.030090
      2.845151  2.845151  0.000000     0.065777    0.062981   -0.057317
      8.535452  2.845151  0.000000     0.065777   -0.045190   -0.164733
      2.845151  8.535452  0.000000     0.000988    0.062981    0.164733
      8.535452  8.535452  0.000000     0.000988   -0.045190    0.057317
      2.845151  2.845151  5.690301    -0.000988    0.045190   -0.057317
      8.535452  2.845151  5.690301    -0.000988   -0.062981   -0.164733
      2.845151  8.535452  5.690301    -0.065777    0.045190    0.164733
      8.535452  8.535452  5.690301    -0.065777   -0.062981    0.057317
      2.845151  2.845151  2.845151     0.032748    0.016708   -0.055919
      8.535452  2.845151  2.845151     0.032748    0.122240   -0.160714
      2.845151  8.535452  2.845151     0.095956    0.016708    0.160714
      8.535452  8.535452  2.845151     0.095956    0.122240    0.055919
      2.845151  2.845151  8.535452    -0.095956   -0.122240   -0.055919
      8.535452  2.845151  8.535452    -0.095956   -0.016708   -0.160714
      2.845151  8.535452  8.535452    -0.032748   -0.122240    0.160714
      8.535452  8.535452  8.535452    -0.032748   -0.016708    0.055919
      2.845151  0.000000  0.000000    -0.050239    0.061444   -0.029356
      8.535452  0.000000  0.000000    -0.050239   -0.044087    0.075439
      2.845151  5.690301  0.000000    -0.014897    0.061444   -0.075439
      8.535452  5.690301  0.000000    -0.014897   -0.044087    0.029356
      2.845151  0.000000  5.690301     0.014897    0.044087   -0.029356
      8.535452  0.000000  5.690301     0.014897   -0.061444    0.075439
      2.845151  5.690301  5.690301     0.050239    0.044087   -0.075439
      8.535452  5.690301  5.690301     0.050239   -0.061444    0.029356
      0.000000  2.845151  0.000000     0.064172    0.019826    0.086920
      5.690301  2.845151  0.000000     0.064172   -0.037183    0.129713
      0.000000  8.535452  0.000000     0.000964    0.019826   -0.129713
      5.690301  8.535452  0.000000     0.000964   -0.037183   -0.086920
      0.000000  2.845151  5.690301    -0.000964    0.037183    0.086920
      5.690301  2.845151  5.690301    -0.000964   -0.019826    0.129713
      0.000000  8.535452  5.690301    -0.064172    0.037183   -0.129713
      5.690301  8.535452  5.690301    -0.064172   -0.019826   -0.086920
      0.000000  0.000000  2.845151    -0.046681   -0.097979   -0.001645
      5.690301  0.000000  2.845151    -0.046681   -0.040969   -0.044438
      0.000000  5.690301  2.845151    -0.082023   -0.097979    0.044438
      5.690301  5.690301  2.845151    -0.082023   -0.040969    0.001645
      0.000000  0.000000  8.535452     0.082023    0.040969   -0.001645
      5.690301  0.000000  8.535452     0.082023    0.097979   -0.044438
      0.000000  5.690301  8.535452     0.046681    0.040969    0.044438
      5.690301  5.690301  8.535452     0.046681    0.097979    0.001645

 139 f  =    3.476289 THz    21.842170 2PiTHz  115.956524 cm-1    14.376782 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.012046    0.076351    0.008216
      5.690301  0.000000  0.000000     0.012046    0.009755    0.010805
      0.000000  5.690301  0.000000     0.137475    0.076351   -0.010805
      5.690301  5.690301  0.000000     0.137475    0.009755   -0.008216
      0.000000  0.000000  5.690301    -0.137475   -0.009755    0.008216
      5.690301  0.000000  5.690301    -0.137475   -0.076351    0.010805
      0.000000  5.690301  5.690301    -0.012046   -0.009755   -0.010805
      5.690301  5.690301  5.690301    -0.012046   -0.076351   -0.008216
      0.000000  2.845151  2.845151    -0.100832   -0.010222    0.017511
      5.690301  2.845151  2.845151    -0.100832    0.056374    0.014922
      0.000000  8.535452  2.845151    -0.074158   -0.010222   -0.014922
      5.690301  8.535452  2.845151    -0.074158    0.056374   -0.017511
      0.000000  2.845151  8.535452     0.074158   -0.056374    0.017511
      5.690301  2.845151  8.535452     0.074158    0.010222    0.014922
      0.000000  8.535452  8.535452     0.100832   -0.056374   -0.014922
      5.690301  8.535452  8.535452     0.100832    0.010222   -0.017511
      2.845151  0.000000  2.845151     0.150209   -0.035234   -0.112799
      8.535452  0.000000  2.845151     0.150209   -0.010918    0.093778
      2.845151  5.690301  2.845151     0.024781   -0.035234   -0.093778
      8.535452  5.690301  2.845151     0.024781   -0.010918    0.112799
      2.845151  0.000000  8.535452    -0.024781    0.010918   -0.112799
      8.535452  0.000000  8.535452    -0.024781    0.035234    0.093778
      2.845151  5.690301  8.535452    -0.150209    0.010918   -0.093778
      8.535452  5.690301  8.535452    -0.150209    0.035234    0.112799
      2.845151  2.845151  0.000000    -0.061424   -0.030895    0.087072
      8.535452  2.845151  0.000000    -0.061424   -0.055211   -0.119505
      2.845151  8.535452  0.000000    -0.088098   -0.030895    0.119505
      8.535452  8.535452  0.000000    -0.088098   -0.055211   -0.087072
      2.845151  2.845151  5.690301     0.088098    0.055211    0.087072
      8.535452  2.845151  5.690301     0.088098    0.030895   -0.119505
      2.845151  8.535452  5.690301     0.061424    0.055211    0.119505
      8.535452  8.535452  5.690301     0.061424    0.030895   -0.087072
      2.845151  2.845151  2.845151    -0.098372   -0.034374    0.084948
      8.535452  2.845151  2.845151    -0.098372   -0.010652   -0.116589
      2.845151  8.535452  2.845151    -0.072349   -0.034374    0.116589
      8.535452  8.535452  2.845151    -0.072349   -0.010652   -0.084948
      2.845151  2.845151  8.535452     0.072349    0.010652    0.084948
      8.535452  2.845151  8.535452     0.072349    0.034374   -0.116589
      2.845151  8.535452  8.535452     0.098372    0.010652    0.116589
      8.535452  8.535452  8.535452     0.098372    0.034374   -0.084948
      2.845151  0.000000  0.000000     0.011753   -0.030141   -0.110047
      8.535452  0.000000  0.000000     0.011753   -0.053864    0.091490
      2.845151  5.690301  0.000000     0.134121   -0.030141   -0.091490
      8.535452  5.690301  0.000000     0.134121   -0.053864    0.110047
      2.845151  0.000000  5.690301    -0.134121    0.053864   -0.110047
      8.535452  0.000000  5.690301    -0.134121    0.030141    0.091490
      2.845151  5.690301  5.690301    -0.011753    0.053864   -0.091490
      8.535452  5.690301  5.690301    -0.011753    0.030141    0.110047
      0.000000  2.845151  0.000000    -0.059925    0.074488    0.017083
      5.690301  2.845151  0.000000    -0.059925    0.009517    0.014558
      0.000000  8.535452  0.000000    -0.085948    0.074488   -0.014558
      5.690301  8.535452  0.000000    -0.085948    0.009517   -0.017083
      0.000000  2.845151  5.690301     0.085948   -0.009517    0.017083
      5.690301  2.845151  5.690301     0.085948   -0.074488    0.014558
      0.000000  8.535452  5.690301     0.059925   -0.009517   -0.014558
      5.690301  8.535452  5.690301     0.059925   -0.074488   -0.017083
      0.000000  0.000000  2.845151     0.146545   -0.009973    0.008016
      5.690301  0.000000  2.845151     0.146545    0.054999    0.010541
      0.000000  5.690301  2.845151     0.024177   -0.009973   -0.010541
      5.690301  5.690301  2.845151     0.024177    0.054999   -0.008016
      0.000000  0.000000  8.535452    -0.024177   -0.054999    0.008016
      5.690301  0.000000  8.535452    -0.024177    0.009973    0.010541
      0.000000  5.690301  8.535452    -0.146545   -0.054999   -0.010541
      5.690301  5.690301  8.535452    -0.146545    0.009973   -0.008016

 140 f  =    3.268744 THz    20.538127 2PiTHz  109.033573 cm-1    13.518445 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151     0.104232    0.143849   -0.015218
      8.535452  2.845151  2.845151    -0.104232   -0.143849    0.015218
      2.845151  8.535452  2.845151    -0.104232   -0.143849    0.015218
      8.535452  8.535452  2.845151     0.104232    0.143849   -0.015218
      2.845151  2.845151  8.535452    -0.104232   -0.143849    0.015218
      8.535452  2.845151  8.535452     0.104232    0.143849   -0.015218
      2.845151  8.535452  8.535452     0.104232    0.143849   -0.015218
      8.535452  8.535452  8.535452    -0.104232   -0.143849    0.015218
      2.845151  0.000000  0.000000     0.141130    0.059662    0.032045
      8.535452  0.000000  0.000000    -0.141130   -0.059662   -0.032045
      2.845151  5.690301  0.000000    -0.141130   -0.059662   -0.032045
      8.535452  5.690301  0.000000     0.141130    0.059662    0.032045
      2.845151  0.000000  5.690301    -0.141130   -0.059662   -0.032045
      8.535452  0.000000  5.690301     0.141130    0.059662    0.032045
      2.845151  5.690301  5.690301     0.141130    0.059662    0.032045
      8.535452  5.690301  5.690301    -0.141130   -0.059662   -0.032045
      0.000000  2.845151  0.000000    -0.074881   -0.151731   -0.052845
      5.690301  2.845151  0.000000     0.074881    0.151731    0.052845
      0.000000  8.535452  0.000000     0.074881    0.151731    0.052845
      5.690301  8.535452  0.000000    -0.074881   -0.151731   -0.052845
      0.000000  2.845151  5.690301     0.074881    0.151731    0.052845
      5.690301  2.845151  5.690301    -0.074881   -0.151731   -0.052845
      0.000000  8.535452  5.690301    -0.074881   -0.151731   -0.052845
      5.690301  8.535452  5.690301     0.074881    0.151731    0.052845
      0.000000  0.000000  2.845151     0.111804    0.157077    0.010601
      5.690301  0.000000  2.845151    -0.111804   -0.157077   -0.010601
      0.000000  5.690301  2.845151    -0.111804   -0.157077   -0.010601
      5.690301  5.690301  2.845151     0.111804    0.157077    0.010601
      0.000000  0.000000  8.535452    -0.111804   -0.157077   -0.010601
      5.690301  0.000000  8.535452     0.111804    0.157077    0.010601
      0.000000  5.690301  8.535452     0.111804    0.157077    0.010601
      5.690301  5.690301  8.535452    -0.111804   -0.157077   -0.010601

 141 f  =    3.268744 THz    20.538127 2PiTHz  109.033573 cm-1    13.518445 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151    -0.154878   -0.001418   -0.070427
      8.535452  2.845151  2.845151     0.154878    0.001418    0.070427
      2.845151  8.535452  2.845151     0.154878    0.001418    0.070427
      8.535452  8.535452  2.845151    -0.154878   -0.001418   -0.070427
      2.845151  2.845151  8.535452     0.154878    0.001418    0.070427
      8.535452  2.845151  8.535452    -0.154878   -0.001418   -0.070427
      2.845151  8.535452  8.535452    -0.154878   -0.001418   -0.070427
      8.535452  8.535452  8.535452     0.154878    0.001418    0.070427
      2.845151  0.000000  0.000000    -0.121118    0.000471   -0.080930
      8.535452  0.000000  0.000000     0.121118   -0.000471    0.080930
      2.845151  5.690301  0.000000     0.121118   -0.000471    0.080930
      8.535452  5.690301  0.000000    -0.121118    0.000471   -0.080930
      2.845151  0.000000  5.690301     0.121118   -0.000471    0.080930
      8.535452  0.000000  5.690301    -0.121118    0.000471   -0.080930
      2.845151  5.690301  5.690301    -0.121118    0.000471   -0.080930
      8.535452  5.690301  5.690301     0.121118   -0.000471    0.080930
      0.000000  2.845151  0.000000    -0.070898    0.012079   -0.217891
      5.690301  2.845151  0.000000     0.070898   -0.012079    0.217891
      0.000000  8.535452  0.000000     0.070898   -0.012079    0.217891
      5.690301  8.535452  0.000000    -0.070898    0.012079   -0.217891
      0.000000  2.845151  5.690301     0.070898   -0.012079    0.217891
      5.690301  2.845151  5.690301    -0.070898    0.012079   -0.217891
      0.000000  8.535452  5.690301    -0.070898    0.012079   -0.217891
      5.690301  8.535452  5.690301     0.070898   -0.012079    0.217891
      0.000000  0.000000  2.845151     0.079513    0.063012    0.109039
      5.690301  0.000000  2.845151    -0.079513   -0.063012   -0.109039
      0.000000  5.690301  2.845151    -0.079513   -0.063012   -0.109039
      5.690301  5.690301  2.845151     0.079513    0.063012    0.109039
      0.000000  0.000000  8.535452    -0.079513   -0.063012   -0.109039
      5.690301  0.000000  8.535452     0.079513    0.063012    0.109039
      0.000000  5.690301  8.535452     0.079513    0.063012    0.109039
      5.690301  5.690301  8.535452    -0.079513   -0.063012   -0.109039

 142 f  =    3.268744 THz    20.538127 2PiTHz  109.033573 cm-1    13.518445 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151     0.004017    0.003977   -0.117606
      8.535452  2.845151  2.845151    -0.004017   -0.003977    0.117606
      2.845151  8.535452  2.845151    -0.004017   -0.003977    0.117606
      8.535452  8.535452  2.845151     0.004017    0.003977   -0.117606
      2.845151  2.845151  8.535452    -0.004017   -0.003977    0.117606
      8.535452  2.845151  8.535452     0.004017    0.003977   -0.117606
      2.845151  8.535452  8.535452     0.004017    0.003977   -0.117606
      8.535452  8.535452  8.535452    -0.004017   -0.003977    0.117606
      2.845151  0.000000  0.000000     0.017368    0.014256   -0.162866
      8.535452  0.000000  0.000000    -0.017368   -0.014256    0.162866
      2.845151  5.690301  0.000000    -0.017368   -0.014256    0.162866
      8.535452  5.690301  0.000000     0.017368    0.014256   -0.162866
      2.845151  0.000000  5.690301    -0.017368   -0.014256    0.162866
      8.535452  0.000000  5.690301     0.017368    0.014256   -0.162866
      2.845151  5.690301  5.690301     0.017368    0.014256   -0.162866
      8.535452  5.690301  5.690301    -0.017368   -0.014256    0.162866
      0.000000  2.845151  0.000000    -0.131862    0.001779    0.140762
      5.690301  2.845151  0.000000     0.131862   -0.001779   -0.140762
      0.000000  8.535452  0.000000     0.131862   -0.001779   -0.140762
      5.690301  8.535452  0.000000    -0.131862    0.001779    0.140762
      0.000000  2.845151  5.690301     0.131862   -0.001779   -0.140762
      5.690301  2.845151  5.690301    -0.131862    0.001779    0.140762
      0.000000  8.535452  5.690301    -0.131862    0.001779    0.140762
      5.690301  8.535452  5.690301     0.131862   -0.001779   -0.140762
      0.000000  0.000000  2.845151     0.166842   -0.136745   -0.019146
      5.690301  0.000000  2.845151    -0.166842    0.136745    0.019146
      0.000000  5.690301  2.845151    -0.166842    0.136745    0.019146
      5.690301  5.690301  2.845151     0.166842   -0.136745   -0.019146
      0.000000  0.000000  8.535452    -0.166842    0.136745    0.019146
      5.690301  0.000000  8.535452     0.166842   -0.136745   -0.019146
      0.000000  5.690301  8.535452     0.166842   -0.136745   -0.019146
      5.690301  5.690301  8.535452    -0.166842    0.136745    0.019146

 143 f  =    3.268744 THz    20.538127 2PiTHz  109.033573 cm-1    13.518445 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151    -0.089293    0.146864    0.127355
      8.535452  2.845151  2.845151     0.089293   -0.146864   -0.127355
      2.845151  8.535452  2.845151     0.089293   -0.146864   -0.127355
      8.535452  8.535452  2.845151    -0.089293    0.146864    0.127355
      2.845151  2.845151  8.535452     0.089293   -0.146864   -0.127355
      8.535452  2.845151  8.535452    -0.089293    0.146864    0.127355
      2.845151  8.535452  8.535452    -0.089293    0.146864    0.127355
      8.535452  8.535452  8.535452     0.089293   -0.146864   -0.127355
      2.845151  0.000000  0.000000    -0.057461    0.201841    0.117128
      8.535452  0.000000  0.000000     0.057461   -0.201841   -0.117128
      2.845151  5.690301  0.000000     0.057461   -0.201841   -0.117128
      8.535452  5.690301  0.000000    -0.057461    0.201841    0.117128
      2.845151  0.000000  5.690301     0.057461   -0.201841   -0.117128
      8.535452  0.000000  5.690301    -0.057461    0.201841    0.117128
      2.845151  5.690301  5.690301    -0.057461    0.201841    0.117128
      8.535452  5.690301  5.690301     0.057461   -0.201841   -0.117128
      0.000000  2.845151  0.000000    -0.074486    0.057828    0.017461
      5.690301  2.845151  0.000000     0.074486   -0.057828   -0.017461
      0.000000  8.535452  0.000000     0.074486   -0.057828   -0.017461
      5.690301  8.535452  0.000000    -0.074486    0.057828    0.017461
      0.000000  2.845151  5.690301     0.074486   -0.057828   -0.017461
      5.690301  2.845151  5.690301    -0.074486    0.057828    0.017461
      0.000000  8.535452  5.690301    -0.074486    0.057828    0.017461
      5.690301  8.535452  5.690301     0.074486   -0.057828   -0.017461
      0.000000  0.000000  2.845151     0.029736   -0.106754   -0.000366
      5.690301  0.000000  2.845151    -0.029736    0.106754    0.000366
      0.000000  5.690301  2.845151    -0.029736    0.106754    0.000366
      5.690301  5.690301  2.845151     0.029736   -0.106754   -0.000366
      0.000000  0.000000  8.535452    -0.029736    0.106754    0.000366
      5.690301  0.000000  8.535452     0.029736   -0.106754   -0.000366
      0.000000  5.690301  8.535452     0.029736   -0.106754   -0.000366
      5.690301  5.690301  8.535452    -0.029736    0.106754    0.000366

 144 f  =    3.268744 THz    20.538127 2PiTHz  109.033573 cm-1    13.518445 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151    -0.119362   -0.123122   -0.044757
      8.535452  2.845151  2.845151     0.119362    0.123122    0.044757
      2.845151  8.535452  2.845151     0.119362    0.123122    0.044757
      8.535452  8.535452  2.845151    -0.119362   -0.123122   -0.044757
      2.845151  2.845151  8.535452     0.119362    0.123122    0.044757
      8.535452  2.845151  8.535452    -0.119362   -0.123122   -0.044757
      2.845151  8.535452  8.535452    -0.119362   -0.123122   -0.044757
      8.535452  8.535452  8.535452     0.119362    0.123122    0.044757
      2.845151  0.000000  0.000000     0.145470    0.072396    0.025958
      8.535452  0.000000  0.000000    -0.145470   -0.072396   -0.025958
      2.845151  5.690301  0.000000    -0.145470   -0.072396   -0.025958
      8.535452  5.690301  0.000000     0.145470    0.072396    0.025958
      2.845151  0.000000  5.690301    -0.145470   -0.072396   -0.025958
      8.535452  0.000000  5.690301     0.145470    0.072396    0.025958
      2.845151  5.690301  5.690301     0.145470    0.072396    0.025958
      8.535452  5.690301  5.690301    -0.145470   -0.072396   -0.025958
      0.000000  2.845151  0.000000    -0.117153   -0.149550   -0.036679
      5.690301  2.845151  0.000000     0.117153    0.149550    0.036679
      0.000000  8.535452  0.000000     0.117153    0.149550    0.036679
      5.690301  8.535452  0.000000    -0.117153   -0.149550   -0.036679
      0.000000  2.845151  5.690301     0.117153    0.149550    0.036679
      5.690301  2.845151  5.690301    -0.117153   -0.149550   -0.036679
      0.000000  8.535452  5.690301    -0.117153   -0.149550   -0.036679
      5.690301  8.535452  5.690301     0.117153    0.149550    0.036679
      0.000000  0.000000  2.845151    -0.149081   -0.082683    0.004080
      5.690301  0.000000  2.845151     0.149081    0.082683   -0.004080
      0.000000  5.690301  2.845151     0.149081    0.082683   -0.004080
      5.690301  5.690301  2.845151    -0.149081   -0.082683    0.004080
      0.000000  0.000000  8.535452     0.149081    0.082683   -0.004080
      5.690301  0.000000  8.535452    -0.149081   -0.082683    0.004080
      0.000000  5.690301  8.535452    -0.149081   -0.082683    0.004080
      5.690301  5.690301  8.535452     0.149081    0.082683   -0.004080

 145 f  =    3.268744 THz    20.538127 2PiTHz  109.033573 cm-1    13.518445 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151     0.017085   -0.020028    0.108347
      8.535452  2.845151  2.845151    -0.017085    0.020028   -0.108347
      2.845151  8.535452  2.845151    -0.017085    0.020028   -0.108347
      8.535452  8.535452  2.845151     0.017085   -0.020028    0.108347
      2.845151  2.845151  8.535452    -0.017085    0.020028   -0.108347
      8.535452  2.845151  8.535452     0.017085   -0.020028    0.108347
      2.845151  8.535452  8.535452     0.017085   -0.020028    0.108347
      8.535452  8.535452  8.535452    -0.017085    0.020028   -0.108347
      2.845151  0.000000  0.000000    -0.059934    0.010732   -0.049082
      8.535452  0.000000  0.000000     0.059934   -0.010732    0.049082
      2.845151  5.690301  0.000000     0.059934   -0.010732    0.049082
      8.535452  5.690301  0.000000    -0.059934    0.010732   -0.049082
      2.845151  0.000000  5.690301     0.059934   -0.010732    0.049082
      8.535452  0.000000  5.690301    -0.059934    0.010732   -0.049082
      2.845151  5.690301  5.690301    -0.059934    0.010732   -0.049082
      8.535452  5.690301  5.690301     0.059934   -0.010732    0.049082
      0.000000  2.845151  0.000000     0.097616   -0.176514    0.075130
      5.690301  2.845151  0.000000    -0.097616    0.176514   -0.075130
      0.000000  8.535452  0.000000    -0.097616    0.176514   -0.075130
      5.690301  8.535452  0.000000     0.097616   -0.176514    0.075130
      0.000000  2.845151  5.690301    -0.097616    0.176514   -0.075130
      5.690301  2.845151  5.690301     0.097616   -0.176514    0.075130
      0.000000  8.535452  5.690301     0.097616   -0.176514    0.075130
      5.690301  8.535452  5.690301    -0.097616    0.176514   -0.075130
      0.000000  0.000000  2.845151     0.029054   -0.058045    0.236448
      5.690301  0.000000  2.845151    -0.029054    0.058045   -0.236448
      0.000000  5.690301  2.845151    -0.029054    0.058045   -0.236448
      5.690301  5.690301  2.845151     0.029054   -0.058045    0.236448
      0.000000  0.000000  8.535452    -0.029054    0.058045   -0.236448
      5.690301  0.000000  8.535452     0.029054   -0.058045    0.236448
      0.000000  5.690301  8.535452     0.029054   -0.058045    0.236448
      5.690301  5.690301  8.535452    -0.029054    0.058045   -0.236448

 146 f  =    3.268744 THz    20.538127 2PiTHz  109.033573 cm-1    13.518445 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151     0.031148    0.100568   -0.185205
      8.535452  2.845151  2.845151    -0.031148   -0.100568    0.185205
      2.845151  8.535452  2.845151    -0.031148   -0.100568    0.185205
      8.535452  8.535452  2.845151     0.031148    0.100568   -0.185205
      2.845151  2.845151  8.535452    -0.031148   -0.100568    0.185205
      8.535452  2.845151  8.535452     0.031148    0.100568   -0.185205
      2.845151  8.535452  8.535452     0.031148    0.100568   -0.185205
      8.535452  8.535452  8.535452    -0.031148   -0.100568    0.185205
      2.845151  0.000000  0.000000    -0.090444   -0.105937    0.175623
      8.535452  0.000000  0.000000     0.090444    0.105937   -0.175623
      2.845151  5.690301  0.000000     0.090444    0.105937   -0.175623
      8.535452  5.690301  0.000000    -0.090444   -0.105937    0.175623
      2.845151  0.000000  5.690301     0.090444    0.105937   -0.175623
      8.535452  0.000000  5.690301    -0.090444   -0.105937    0.175623
      2.845151  5.690301  5.690301    -0.090444   -0.105937    0.175623
      8.535452  5.690301  5.690301     0.090444    0.105937   -0.175623
      0.000000  2.845151  0.000000    -0.079268   -0.018575    0.064241
      5.690301  2.845151  0.000000     0.079268    0.018575   -0.064241
      0.000000  8.535452  0.000000     0.079268    0.018575   -0.064241
      5.690301  8.535452  0.000000    -0.079268   -0.018575    0.064241
      0.000000  2.845151  5.690301     0.079268    0.018575   -0.064241
      5.690301  2.845151  5.690301    -0.079268   -0.018575    0.064241
      0.000000  8.535452  5.690301    -0.079268   -0.018575    0.064241
      5.690301  8.535452  5.690301     0.079268    0.018575   -0.064241
      0.000000  0.000000  2.845151    -0.075055   -0.033093    0.109018
      5.690301  0.000000  2.845151     0.075055    0.033093   -0.109018
      0.000000  5.690301  2.845151     0.075055    0.033093   -0.109018
      5.690301  5.690301  2.845151    -0.075055   -0.033093    0.109018
      0.000000  0.000000  8.535452     0.075055    0.033093   -0.109018
      5.690301  0.000000  8.535452    -0.075055   -0.033093    0.109018
      0.000000  5.690301  8.535452    -0.075055   -0.033093    0.109018
      5.690301  5.690301  8.535452     0.075055    0.033093   -0.109018

 147 f  =    3.268744 THz    20.538127 2PiTHz  109.033573 cm-1    13.518445 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.000000    0.000000    0.000000
      5.690301  0.000000  0.000000     0.000000    0.000000    0.000000
      0.000000  5.690301  0.000000     0.000000    0.000000    0.000000
      5.690301  5.690301  0.000000     0.000000    0.000000    0.000000
      0.000000  0.000000  5.690301     0.000000    0.000000    0.000000
      5.690301  0.000000  5.690301     0.000000    0.000000    0.000000
      0.000000  5.690301  5.690301     0.000000    0.000000    0.000000
      5.690301  5.690301  5.690301     0.000000    0.000000    0.000000
      0.000000  2.845151  2.845151     0.000000    0.000000    0.000000
      5.690301  2.845151  2.845151     0.000000    0.000000    0.000000
      0.000000  8.535452  2.845151     0.000000    0.000000    0.000000
      5.690301  8.535452  2.845151     0.000000    0.000000    0.000000
      0.000000  2.845151  8.535452     0.000000    0.000000    0.000000
      5.690301  2.845151  8.535452     0.000000    0.000000    0.000000
      0.000000  8.535452  8.535452     0.000000    0.000000    0.000000
      5.690301  8.535452  8.535452     0.000000    0.000000    0.000000
      2.845151  0.000000  2.845151     0.000000    0.000000    0.000000
      8.535452  0.000000  2.845151     0.000000    0.000000    0.000000
      2.845151  5.690301  2.845151     0.000000    0.000000    0.000000
      8.535452  5.690301  2.845151     0.000000    0.000000    0.000000
      2.845151  0.000000  8.535452     0.000000    0.000000    0.000000
      8.535452  0.000000  8.535452     0.000000    0.000000    0.000000
      2.845151  5.690301  8.535452     0.000000    0.000000    0.000000
      8.535452  5.690301  8.535452     0.000000    0.000000    0.000000
      2.845151  2.845151  0.000000     0.000000    0.000000    0.000000
      8.535452  2.845151  0.000000     0.000000    0.000000    0.000000
      2.845151  8.535452  0.000000     0.000000    0.000000    0.000000
      8.535452  8.535452  0.000000     0.000000    0.000000    0.000000
      2.845151  2.845151  5.690301     0.000000    0.000000    0.000000
      8.535452  2.845151  5.690301     0.000000    0.000000    0.000000
      2.845151  8.535452  5.690301     0.000000    0.000000    0.000000
      8.535452  8.535452  5.690301     0.000000    0.000000    0.000000
      2.845151  2.845151  2.845151     0.158060   -0.124015    0.006949
      8.535452  2.845151  2.845151    -0.158060    0.124015   -0.006949
      2.845151  8.535452  2.845151    -0.158060    0.124015   -0.006949
      8.535452  8.535452  2.845151     0.158060   -0.124015    0.006949
      2.845151  2.845151  8.535452    -0.158060    0.124015   -0.006949
      8.535452  2.845151  8.535452     0.158060   -0.124015    0.006949
      2.845151  8.535452  8.535452     0.158060   -0.124015    0.006949
      8.535452  8.535452  8.535452    -0.158060    0.124015   -0.006949
      2.845151  0.000000  0.000000    -0.110494    0.149169   -0.039826
      8.535452  0.000000  0.000000     0.110494   -0.149169    0.039826
      2.845151  5.690301  0.000000     0.110494   -0.149169    0.039826
      8.535452  5.690301  0.000000    -0.110494    0.149169   -0.039826
      2.845151  0.000000  5.690301     0.110494   -0.149169    0.039826
      8.535452  0.000000  5.690301    -0.110494    0.149169   -0.039826
      2.845151  5.690301  5.690301    -0.110494    0.149169   -0.039826
      8.535452  5.690301  5.690301     0.110494   -0.149169    0.039826
      0.000000  2.845151  0.000000    -0.142221    0.054321    0.042764
      5.690301  2.845151  0.000000     0.142221   -0.054321   -0.042764
      0.000000  8.535452  0.000000     0.142221   -0.054321   -0.042764
      5.690301  8.535452  0.000000    -0.142221    0.054321    0.042764
      0.000000  2.845151  5.690301     0.142221   -0.054321   -0.042764
      5.690301  2.845151  5.690301    -0.142221    0.054321    0.042764
      0.000000  8.535452  5.690301    -0.142221    0.054321    0.042764
      5.690301  8.535452  5.690301     0.142221   -0.054321   -0.042764
      0.000000  0.000000  2.845151    -0.084189    0.115296    0.056173
      5.690301  0.000000  2.845151     0.084189   -0.115296   -0.056173
      0.000000  5.690301  2.845151     0.084189   -0.115296   -0.056173
      5.690301  5.690301  2.845151    -0.084189    0.115296    0.056173
      0.000000  0.000000  8.535452     0.084189   -0.115296   -0.056173
      5.690301  0.000000  8.535452    -0.084189    0.115296    0.056173
      0.000000  5.690301  8.535452    -0.084189    0.115296    0.056173
      5.690301  5.690301  8.535452     0.084189   -0.115296   -0.056173

 148 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.006764    0.000354    0.013949
      5.690301  0.000000  0.000000    -0.006764    0.016773   -0.006665
      0.000000  5.690301  0.000000     0.018849   -0.000354    0.006665
      5.690301  5.690301  0.000000    -0.018849   -0.016773   -0.013949
      0.000000  0.000000  5.690301    -0.018849   -0.016773   -0.013949
      5.690301  0.000000  5.690301     0.018849   -0.000354    0.006665
      0.000000  5.690301  5.690301    -0.006764    0.016773   -0.006665
      5.690301  5.690301  5.690301     0.006764    0.000354    0.013949
      0.000000  2.845151  2.845151    -0.043483   -0.015782   -0.006963
      5.690301  2.845151  2.845151     0.043483    0.023067    0.024090
      0.000000  8.535452  2.845151    -0.041870    0.015782   -0.024090
      5.690301  8.535452  2.845151     0.041870   -0.023067    0.006963
      0.000000  2.845151  8.535452     0.041870   -0.023067    0.006963
      5.690301  2.845151  8.535452    -0.041870    0.015782   -0.024090
      0.000000  8.535452  8.535452     0.043483    0.023067    0.024090
      5.690301  8.535452  8.535452    -0.043483   -0.015782   -0.006963
      2.845151  0.000000  2.845151     0.029732    0.025328    0.029353
      8.535452  0.000000  2.845151    -0.029732    0.023714    0.003740
      2.845151  5.690301  2.845151    -0.009117   -0.025328   -0.003740
      8.535452  5.690301  2.845151     0.009117   -0.023714   -0.029353
      2.845151  0.000000  8.535452     0.009117   -0.023714   -0.029353
      8.535452  0.000000  8.535452    -0.009117   -0.025328   -0.003740
      2.845151  5.690301  8.535452    -0.029732    0.023714    0.003740
      8.535452  5.690301  8.535452     0.029732    0.025328    0.029353
      2.845151  2.845151  0.000000     0.007317   -0.022589    0.018155
      8.535452  2.845151  0.000000    -0.007317   -0.010504   -0.067197
      2.845151  8.535452  0.000000     0.023736    0.022589    0.067197
      8.535452  8.535452  0.000000    -0.023736    0.010504   -0.018155
      2.845151  2.845151  5.690301    -0.023736    0.010504   -0.018155
      8.535452  2.845151  5.690301     0.023736    0.022589    0.067197
      2.845151  8.535452  5.690301    -0.007317   -0.010504   -0.067197
      8.535452  8.535452  5.690301     0.007317   -0.022589    0.018155
      2.845151  2.845151  2.845151     0.008273   -0.009465    0.084273
      8.535452  2.845151  2.845151    -0.008273    0.038191   -0.016734
      2.845151  8.535452  2.845151     0.073020    0.009465    0.016734
      8.535452  8.535452  2.845151    -0.073020   -0.038191   -0.084273
      2.845151  2.845151  8.535452    -0.073020   -0.038191   -0.084273
      8.535452  2.845151  8.535452     0.073020    0.009465    0.016734
      2.845151  8.535452  8.535452    -0.008273    0.038191   -0.016734
      8.535452  8.535452  8.535452     0.008273   -0.009465    0.084273
      2.845151  0.000000  0.000000     0.137832    0.036951    0.182658
      8.535452  0.000000  0.000000    -0.137832    0.030588   -0.153932
      2.845151  5.690301  0.000000    -0.015371   -0.036951    0.153932
      8.535452  5.690301  0.000000     0.015371   -0.030588   -0.182658
      2.845151  0.000000  5.690301     0.015371   -0.030588   -0.182658
      8.535452  0.000000  5.690301    -0.015371   -0.036951    0.153932
      2.845151  5.690301  5.690301    -0.137832    0.030588   -0.153932
      8.535452  5.690301  5.690301     0.137832    0.036951    0.182658
      0.000000  2.845151  0.000000     0.047323   -0.141852   -0.056052
      5.690301  2.845151  0.000000    -0.047323    0.011351   -0.137345
      0.000000  8.535452  0.000000     0.053685    0.141852    0.137345
      5.690301  8.535452  0.000000    -0.053685   -0.011351    0.056052
      0.000000  2.845151  5.690301    -0.053685   -0.011351    0.056052
      5.690301  2.845151  5.690301     0.053685    0.141852    0.137345
      0.000000  8.535452  5.690301    -0.047323    0.011351   -0.137345
      5.690301  8.535452  5.690301     0.047323   -0.141852   -0.056052
      0.000000  0.000000  2.845151    -0.192123    0.064325    0.004021
      5.690301  0.000000  2.845151     0.192123    0.129073    0.126481
      0.000000  5.690301  2.845151    -0.144467   -0.064325   -0.126481
      5.690301  5.690301  2.845151     0.144467   -0.129073   -0.004021
      0.000000  0.000000  8.535452     0.144467   -0.129073   -0.004021
      5.690301  0.000000  8.535452    -0.144467   -0.064325   -0.126481
      0.000000  5.690301  8.535452     0.192123    0.129073    0.126481
      5.690301  5.690301  8.535452    -0.192123    0.064325    0.004021

 149 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.027901    0.035005    0.009025
      5.690301  0.000000  0.000000     0.027901    0.052606    0.046408
      0.000000  5.690301  0.000000    -0.002004   -0.035005   -0.046408
      5.690301  5.690301  0.000000     0.002004   -0.052606   -0.009025
      0.000000  0.000000  5.690301     0.002004   -0.052606   -0.009025
      5.690301  0.000000  5.690301    -0.002004   -0.035005   -0.046408
      0.000000  5.690301  5.690301     0.027901    0.052606    0.046408
      5.690301  5.690301  5.690301    -0.027901    0.035005    0.009025
      0.000000  2.845151  2.845151     0.019058    0.031917    0.045778
      5.690301  2.845151  2.845151    -0.019058    0.023515    0.041832
      0.000000  8.535452  2.845151    -0.010328   -0.031917   -0.041832
      5.690301  8.535452  2.845151     0.010328   -0.023515   -0.045778
      0.000000  2.845151  8.535452     0.010328   -0.023515   -0.045778
      5.690301  2.845151  8.535452    -0.010328   -0.031917   -0.041832
      0.000000  8.535452  8.535452    -0.019058    0.023515    0.041832
      5.690301  8.535452  8.535452     0.019058    0.031917    0.045778
      2.845151  0.000000  2.845151    -0.022893   -0.014487   -0.011150
      8.535452  0.000000  2.845151     0.022893    0.014899    0.018755
      2.845151  5.690301  2.845151    -0.014491    0.014487   -0.018755
      8.535452  5.690301  2.845151     0.014491   -0.014899    0.011150
      2.845151  0.000000  8.535452     0.014491   -0.014899    0.011150
      8.535452  0.000000  8.535452    -0.014491    0.014487   -0.018755
      2.845151  5.690301  8.535452     0.022893    0.014899    0.018755
      8.535452  5.690301  8.535452    -0.022893   -0.014487   -0.011150
      2.845151  2.845151  0.000000    -0.010774   -0.016751   -0.004571
      8.535452  2.845151  0.000000     0.010774    0.009146    0.004159
      2.845151  8.535452  0.000000     0.006827    0.016751   -0.004159
      8.535452  8.535452  0.000000    -0.006827   -0.009146    0.004571
      2.845151  2.845151  5.690301    -0.006827   -0.009146    0.004571
      8.535452  2.845151  5.690301     0.006827    0.016751   -0.004159
      2.845151  8.535452  5.690301     0.010774    0.009146    0.004159
      8.535452  8.535452  5.690301    -0.010774   -0.016751   -0.004571
      2.845151  2.845151  2.845151    -0.108416    0.058238    0.113781
      8.535452  2.845151  2.845151     0.108416    0.160362    0.231712
      2.845151  8.535452  2.845151    -0.039006   -0.058238   -0.231712
      8.535452  8.535452  2.845151     0.039006   -0.160362   -0.113781
      2.845151  2.845151  8.535452     0.039006   -0.160362   -0.113781
      8.535452  2.845151  8.535452    -0.039006   -0.058238   -0.231712
      2.845151  8.535452  8.535452     0.108416    0.160362    0.231712
      8.535452  8.535452  8.535452    -0.108416    0.058238    0.113781
      2.845151  0.000000  0.000000    -0.024347    0.114804    0.092088
      8.535452  0.000000  0.000000     0.024347    0.230689    0.126512
      2.845151  5.690301  0.000000     0.008786   -0.114804   -0.126512
      8.535452  5.690301  0.000000    -0.008786   -0.230689   -0.092088
      2.845151  0.000000  5.690301    -0.008786   -0.230689   -0.092088
      8.535452  0.000000  5.690301     0.008786   -0.114804   -0.126512
      2.845151  5.690301  5.690301     0.024347    0.230689    0.126512
      8.535452  5.690301  5.690301    -0.024347    0.114804    0.092088
      0.000000  2.845151  0.000000    -0.001024    0.001573   -0.074522
      5.690301  2.845151  0.000000     0.001024   -0.031560    0.072899
      0.000000  8.535452  0.000000    -0.116908   -0.001573   -0.072899
      5.690301  8.535452  0.000000     0.116908    0.031560    0.074522
      0.000000  2.845151  5.690301     0.116908    0.031560    0.074522
      5.690301  2.845151  5.690301    -0.116908   -0.001573   -0.072899
      0.000000  8.535452  5.690301     0.001024   -0.031560    0.072899
      5.690301  8.535452  5.690301    -0.001024    0.001573   -0.074522
      0.000000  0.000000  2.845151    -0.033850   -0.033893    0.022775
      5.690301  0.000000  2.845151     0.033850    0.035517    0.007213
      0.000000  5.690301  2.845151     0.068275    0.033893   -0.007213
      5.690301  5.690301  2.845151    -0.068275   -0.035517   -0.022775
      0.000000  0.000000  8.535452    -0.068275   -0.035517   -0.022775
      5.690301  0.000000  8.535452     0.068275    0.033893   -0.007213
      0.000000  5.690301  8.535452     0.033850    0.035517    0.007213
      5.690301  5.690301  8.535452    -0.033850   -0.033893    0.022775

 150 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.059139    0.029295   -0.001950
      5.690301  0.000000  0.000000    -0.059139   -0.005543    0.018366
      0.000000  5.690301  0.000000    -0.027862   -0.029295   -0.018366
      5.690301  5.690301  0.000000     0.027862    0.005543    0.001950
      0.000000  0.000000  5.690301     0.027862    0.005543    0.001950
      5.690301  0.000000  5.690301    -0.027862   -0.029295   -0.018366
      0.000000  5.690301  5.690301    -0.059139   -0.005543    0.018366
      5.690301  5.690301  5.690301     0.059139    0.029295   -0.001950
      0.000000  2.845151  2.845151    -0.013747    0.032980    0.000911
      5.690301  2.845151  2.845151     0.013747   -0.016564    0.022842
      0.000000  8.535452  2.845151    -0.017002   -0.032980   -0.022842
      5.690301  8.535452  2.845151     0.017002    0.016564   -0.000911
      0.000000  2.845151  8.535452     0.017002    0.016564   -0.000911
      5.690301  2.845151  8.535452    -0.017002   -0.032980   -0.022842
      0.000000  8.535452  8.535452     0.013747   -0.016564    0.022842
      5.690301  8.535452  8.535452    -0.013747    0.032980    0.000911
      2.845151  0.000000  2.845151    -0.034930   -0.003748    0.008796
      8.535452  0.000000  2.845151     0.034930   -0.000493   -0.022481
      2.845151  5.690301  2.845151     0.014614    0.003748    0.022481
      8.535452  5.690301  2.845151    -0.014614    0.000493   -0.008796
      2.845151  0.000000  8.535452    -0.014614    0.000493   -0.008796
      8.535452  0.000000  8.535452     0.014614    0.003748    0.022481
      2.845151  5.690301  8.535452     0.034930   -0.000493   -0.022481
      8.535452  5.690301  8.535452    -0.034930   -0.003748    0.008796
      2.845151  2.845151  0.000000     0.028385    0.050343    0.017496
      8.535452  2.845151  0.000000    -0.028385   -0.036658   -0.013254
      2.845151  8.535452  0.000000    -0.006453   -0.050343    0.013254
      8.535452  8.535452  0.000000     0.006453    0.036658   -0.017496
      2.845151  2.845151  5.690301     0.006453    0.036658   -0.017496
      8.535452  2.845151  5.690301    -0.006453   -0.050343    0.013254
      2.845151  8.535452  5.690301    -0.028385   -0.036658   -0.013254
      8.535452  8.535452  5.690301     0.028385    0.050343    0.017496
      2.845151  2.845151  2.845151     0.028634    0.203914    0.108506
      8.535452  2.845151  2.845151    -0.028634   -0.139175   -0.014838
      2.845151  8.535452  2.845151    -0.108751   -0.203914    0.014838
      8.535452  8.535452  2.845151     0.108751    0.139175   -0.108506
      2.845151  2.845151  8.535452     0.108751    0.139175   -0.108506
      8.535452  2.845151  8.535452    -0.108751   -0.203914    0.014838
      2.845151  8.535452  8.535452    -0.028634   -0.139175   -0.014838
      8.535452  8.535452  8.535452     0.028634    0.203914    0.108506
      2.845151  0.000000  0.000000    -0.054446    0.040416    0.093000
      8.535452  0.000000  0.000000     0.054446    0.053252   -0.028261
      2.845151  5.690301  0.000000     0.140932   -0.040416    0.028261
      8.535452  5.690301  0.000000    -0.140932   -0.053252   -0.093000
      2.845151  0.000000  5.690301    -0.140932   -0.053252   -0.093000
      8.535452  0.000000  5.690301     0.140932   -0.040416    0.028261
      2.845151  5.690301  5.690301     0.054446    0.053252   -0.028261
      8.535452  5.690301  5.690301    -0.054446    0.040416    0.093000
      0.000000  2.845151  0.000000     0.068090    0.124673   -0.031695
      5.690301  2.845151  0.000000    -0.068090   -0.070705    0.048422
      0.000000  8.535452  0.000000     0.055253   -0.124673   -0.048422
      5.690301  8.535452  0.000000    -0.055253    0.070705    0.031695
      0.000000  2.845151  5.690301    -0.055253    0.070705    0.031695
      5.690301  2.845151  5.690301     0.055253   -0.124673   -0.048422
      0.000000  8.535452  5.690301    -0.068090   -0.070705    0.048422
      5.690301  8.535452  5.690301     0.068090    0.124673   -0.031695
      0.000000  0.000000  2.845151     0.110915    0.060328   -0.070227
      5.690301  0.000000  2.845151    -0.110915   -0.077056    0.016259
      0.000000  5.690301  2.845151    -0.232175   -0.060328   -0.016259
      5.690301  5.690301  2.845151     0.232175    0.077056    0.070227
      0.000000  0.000000  8.535452     0.232175    0.077056    0.070227
      5.690301  0.000000  8.535452    -0.232175   -0.060328   -0.016259
      0.000000  5.690301  8.535452    -0.110915   -0.077056    0.016259
      5.690301  5.690301  8.535452     0.110915    0.060328   -0.070227

 151 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.018763    0.020339    0.033253
      5.690301  0.000000  0.000000    -0.018763    0.028886   -0.020145
      0.000000  5.690301  0.000000     0.034282   -0.020339    0.020145
      5.690301  5.690301  0.000000    -0.034282   -0.028886   -0.033253
      0.000000  0.000000  5.690301    -0.034282   -0.028886   -0.033253
      5.690301  0.000000  5.690301     0.034282   -0.020339    0.020145
      0.000000  5.690301  5.690301    -0.018763    0.028886   -0.020145
      5.690301  5.690301  5.690301     0.018763    0.020339    0.033253
      0.000000  2.845151  2.845151    -0.025173    0.003292    0.028815
      5.690301  2.845151  2.845151     0.025173    0.009816    0.020411
      0.000000  8.535452  2.845151     0.034663   -0.003292   -0.020411
      5.690301  8.535452  2.845151    -0.034663   -0.009816   -0.028815
      0.000000  2.845151  8.535452    -0.034663   -0.009816   -0.028815
      5.690301  2.845151  8.535452     0.034663   -0.003292   -0.020411
      0.000000  8.535452  8.535452     0.025173    0.009816    0.020411
      5.690301  8.535452  8.535452    -0.025173    0.003292    0.028815
      2.845151  0.000000  2.845151     0.029962    0.012482    0.006961
      8.535452  0.000000  2.845151    -0.029962   -0.047355   -0.046085
      2.845151  5.690301  2.845151     0.023437   -0.012482    0.046085
      8.535452  5.690301  2.845151    -0.023437    0.047355   -0.006961
      2.845151  0.000000  8.535452    -0.023437    0.047355   -0.006961
      8.535452  0.000000  8.535452     0.023437   -0.012482    0.046085
      2.845151  5.690301  8.535452    -0.029962   -0.047355   -0.046085
      8.535452  5.690301  8.535452     0.029962    0.012482    0.006961
      2.845151  2.845151  0.000000    -0.008475    0.011803    0.012691
      8.535452  2.845151  0.000000     0.008475    0.027322    0.022181
      2.845151  8.535452  0.000000     0.000071   -0.011803   -0.022181
      8.535452  8.535452  0.000000    -0.000071   -0.027322   -0.012691
      2.845151  2.845151  5.690301    -0.000071   -0.027322   -0.012691
      8.535452  2.845151  5.690301     0.000071   -0.011803   -0.022181
      2.845151  8.535452  5.690301     0.008475    0.027322    0.022181
      8.535452  8.535452  5.690301    -0.008475    0.011803    0.012691
      2.845151  2.845151  2.845151     0.088437   -0.004753    0.201653
      8.535452  2.845151  2.845151    -0.088437    0.056446   -0.007533
      2.845151  8.535452  2.845151     0.122140    0.004753    0.007533
      8.535452  8.535452  2.845151    -0.122140   -0.056446   -0.201653
      2.845151  2.845151  8.535452    -0.122140   -0.056446   -0.201653
      8.535452  2.845151  8.535452     0.122140    0.004753    0.007533
      2.845151  8.535452  8.535452    -0.088437    0.056446   -0.007533
      8.535452  8.535452  8.535452     0.088437   -0.004753    0.201653
      2.845151  0.000000  0.000000    -0.003706    0.215043    0.007135
      8.535452  0.000000  0.000000     0.003706   -0.020923    0.044558
      2.845151  5.690301  0.000000    -0.029436   -0.215043   -0.044558
      8.535452  5.690301  0.000000     0.029436    0.020923   -0.007135
      2.845151  0.000000  5.690301     0.029436    0.020923   -0.007135
      8.535452  0.000000  5.690301    -0.029436   -0.215043   -0.044558
      2.845151  5.690301  5.690301     0.003706   -0.020923    0.044558
      8.535452  5.690301  5.690301    -0.003706    0.215043    0.007135
      0.000000  2.845151  0.000000    -0.013390    0.064279    0.174049
      5.690301  2.845151  0.000000     0.013390    0.090009   -0.036529
      0.000000  8.535452  0.000000     0.222576   -0.064279    0.036529
      5.690301  8.535452  0.000000    -0.222576   -0.090009   -0.174049
      0.000000  2.845151  5.690301    -0.222576   -0.090009   -0.174049
      5.690301  2.845151  5.690301     0.222576   -0.064279    0.036529
      0.000000  8.535452  5.690301     0.013390    0.090009   -0.036529
      5.690301  8.535452  5.690301    -0.013390    0.064279    0.174049
      0.000000  0.000000  2.845151    -0.011889   -0.085612   -0.060573
      5.690301  0.000000  2.845151     0.011889   -0.051909   -0.093715
      0.000000  5.690301  2.845151     0.049311    0.085612    0.093715
      5.690301  5.690301  2.845151    -0.049311    0.051909    0.060573
      0.000000  0.000000  8.535452    -0.049311    0.051909    0.060573
      5.690301  0.000000  8.535452     0.049311    0.085612    0.093715
      0.000000  5.690301  8.535452     0.011889   -0.051909   -0.093715
      5.690301  5.690301  8.535452    -0.011889   -0.085612   -0.060573

 152 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.002984    0.023740   -0.025674
      5.690301  0.000000  0.000000    -0.002984   -0.008876    0.022331
      0.000000  5.690301  0.000000    -0.029464   -0.023740   -0.022331
      5.690301  5.690301  0.000000     0.029464    0.008876    0.025674
      0.000000  0.000000  5.690301     0.029464    0.008876    0.025674
      5.690301  0.000000  5.690301    -0.029464   -0.023740   -0.022331
      0.000000  5.690301  5.690301    -0.002984   -0.008876    0.022331
      5.690301  5.690301  5.690301     0.002984    0.023740   -0.025674
      0.000000  2.845151  2.845151    -0.023659   -0.041412    0.007054
      5.690301  2.845151  2.845151     0.023659    0.038070    0.007810
      0.000000  8.535452  2.845151     0.033934    0.041412   -0.007810
      5.690301  8.535452  2.845151    -0.033934   -0.038070   -0.007054
      0.000000  2.845151  8.535452    -0.033934   -0.038070   -0.007054
      5.690301  2.845151  8.535452     0.033934    0.041412   -0.007810
      0.000000  8.535452  8.535452     0.023659    0.038070    0.007810
      5.690301  8.535452  8.535452    -0.023659   -0.041412    0.007054
      2.845151  0.000000  2.845151     0.015738    0.029914   -0.014321
      8.535452  0.000000  2.845151    -0.015738   -0.027678    0.012159
      2.845151  5.690301  2.845151    -0.063743   -0.029914   -0.012159
      8.535452  5.690301  2.845151     0.063743    0.027678    0.014321
      2.845151  0.000000  8.535452     0.063743    0.027678    0.014321
      8.535452  0.000000  8.535452    -0.063743   -0.029914   -0.012159
      2.845151  5.690301  8.535452    -0.015738   -0.027678    0.012159
      8.535452  5.690301  8.535452     0.015738    0.029914   -0.014321
      2.845151  2.845151  0.000000     0.016686    0.017305   -0.006255
      8.535452  2.845151  0.000000    -0.016686   -0.015143    0.004020
      2.845151  8.535452  0.000000    -0.015930   -0.017305   -0.004020
      8.535452  8.535452  0.000000     0.015930    0.015143    0.006255
      2.845151  2.845151  5.690301     0.015930    0.015143    0.006255
      8.535452  2.845151  5.690301    -0.015930   -0.017305   -0.004020
      2.845151  8.535452  5.690301    -0.016686   -0.015143    0.004020
      8.535452  8.535452  5.690301     0.016686    0.017305   -0.006255
      2.845151  2.845151  2.845151    -0.030343    0.057390   -0.022904
      8.535452  2.845151  2.845151     0.030343   -0.070571    0.081520
      2.845151  8.535452  2.845151    -0.158966   -0.057390   -0.081520
      8.535452  8.535452  2.845151     0.158966    0.070571    0.022904
      2.845151  2.845151  8.535452     0.158966    0.070571    0.022904
      8.535452  2.845151  8.535452    -0.158966   -0.057390   -0.081520
      2.845151  8.535452  8.535452     0.030343   -0.070571    0.081520
      8.535452  8.535452  8.535452    -0.030343    0.057390   -0.022904
      2.845151  0.000000  0.000000     0.158209    0.142866   -0.026850
      8.535452  0.000000  0.000000    -0.158209   -0.084250    0.013670
      2.845151  5.690301  0.000000    -0.155228   -0.142866   -0.013670
      8.535452  5.690301  0.000000     0.155228    0.084250    0.026850
      2.845151  0.000000  5.690301     0.155228    0.084250    0.026850
      8.535452  0.000000  5.690301    -0.155228   -0.142866   -0.013670
      2.845151  5.690301  5.690301    -0.158209   -0.084250    0.013670
      8.535452  5.690301  5.690301     0.158209    0.142866   -0.026850
      0.000000  2.845151  0.000000    -0.165770   -0.152455   -0.099063
      5.690301  2.845151  0.000000     0.165770    0.160982    0.090246
      0.000000  8.535452  0.000000     0.061346    0.152455   -0.090246
      5.690301  8.535452  0.000000    -0.061346   -0.160982    0.099063
      0.000000  2.845151  5.690301    -0.061346   -0.160982    0.099063
      5.690301  2.845151  5.690301     0.061346    0.152455   -0.090246
      0.000000  8.535452  5.690301     0.165770    0.160982    0.090246
      5.690301  8.535452  5.690301    -0.165770   -0.152455   -0.099063
      0.000000  0.000000  2.845151     0.084240    0.068720   -0.005754
      5.690301  0.000000  2.845151    -0.084240   -0.059903   -0.002773
      0.000000  5.690301  2.845151    -0.043720   -0.068720    0.002773
      5.690301  5.690301  2.845151     0.043720    0.059903    0.005754
      0.000000  0.000000  8.535452     0.043720    0.059903    0.005754
      5.690301  0.000000  8.535452    -0.043720   -0.068720    0.002773
      0.000000  5.690301  8.535452    -0.084240   -0.059903   -0.002773
      5.690301  5.690301  8.535452     0.084240    0.068720   -0.005754

 153 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.009902   -0.047684    0.021699
      5.690301  0.000000  0.000000     0.009902    0.027866    0.007442
      0.000000  5.690301  0.000000    -0.047096    0.047684   -0.007442
      5.690301  5.690301  0.000000     0.047096   -0.027866   -0.021699
      0.000000  0.000000  5.690301     0.047096   -0.027866   -0.021699
      5.690301  0.000000  5.690301    -0.047096    0.047684   -0.007442
      0.000000  5.690301  5.690301     0.009902    0.027866    0.007442
      5.690301  5.690301  5.690301    -0.009902   -0.047684    0.021699
      0.000000  2.845151  2.845151    -0.033809    0.025954   -0.006831
      5.690301  2.845151  2.845151     0.033809    0.003187   -0.012987
      0.000000  8.535452  2.845151     0.015145   -0.025954    0.012987
      5.690301  8.535452  2.845151    -0.015145   -0.003187    0.006831
      0.000000  2.845151  8.535452    -0.015145   -0.003187    0.006831
      5.690301  2.845151  8.535452     0.015145   -0.025954    0.012987
      0.000000  8.535452  8.535452     0.033809    0.003187   -0.012987
      5.690301  8.535452  8.535452    -0.033809    0.025954   -0.006831
      2.845151  0.000000  2.845151    -0.004256    0.024924   -0.030585
      8.535452  0.000000  2.845151     0.004256   -0.024030    0.026413
      2.845151  5.690301  2.845151     0.018512   -0.024924   -0.026413
      8.535452  5.690301  2.845151    -0.018512    0.024030    0.030585
      2.845151  0.000000  8.535452    -0.018512    0.024030    0.030585
      8.535452  0.000000  8.535452     0.018512   -0.024924   -0.026413
      2.845151  5.690301  8.535452     0.004256   -0.024030    0.026413
      8.535452  5.690301  8.535452    -0.004256    0.024924   -0.030585
      2.845151  2.845151  0.000000    -0.040853    0.020683    0.008885
      8.535452  2.845151  0.000000     0.040853   -0.016511   -0.009780
      2.845151  8.535452  0.000000     0.034697   -0.020683    0.009780
      8.535452  8.535452  0.000000    -0.034697    0.016511   -0.008885
      2.845151  2.845151  5.690301    -0.034697    0.016511   -0.008885
      8.535452  2.845151  5.690301     0.034697   -0.020683    0.009780
      2.845151  8.535452  5.690301     0.040853   -0.016511   -0.009780
      8.535452  8.535452  5.690301    -0.040853    0.020683    0.008885
      2.845151  2.845151  2.845151    -0.120856    0.130796   -0.151463
      8.535452  2.845151  2.845151     0.120856   -0.015878    0.073311
      2.845151  8.535452  2.845151     0.177077   -0.130796   -0.073311
      8.535452  8.535452  2.845151    -0.177077    0.015878    0.151463
      2.845151  2.845151  8.535452    -0.177077    0.015878    0.151463
      8.535452  2.845151  8.535452     0.177077   -0.130796   -0.073311
      2.845151  8.535452  8.535452     0.120856   -0.015878    0.073311
      8.535452  8.535452  8.535452    -0.120856    0.130796   -0.151463
      2.845151  0.000000  0.000000    -0.057032    0.057449    0.094262
      8.535452  0.000000  0.000000     0.057032   -0.135602    0.020657
      2.845151  5.690301  0.000000     0.032753   -0.057449   -0.020657
      8.535452  5.690301  0.000000    -0.032753    0.135602   -0.094262
      2.845151  0.000000  5.690301    -0.032753    0.135602   -0.094262
      8.535452  0.000000  5.690301     0.032753   -0.057449   -0.020657
      2.845151  5.690301  5.690301     0.057032   -0.135602    0.020657
      8.535452  5.690301  5.690301    -0.057032    0.057449    0.094262
      0.000000  2.845151  0.000000    -0.208912    0.053118    0.026346
      5.690301  2.845151  0.000000     0.208912   -0.036667   -0.029875
      0.000000  8.535452  0.000000    -0.015861   -0.053118    0.029875
      5.690301  8.535452  0.000000     0.015861    0.036667   -0.026346
      0.000000  2.845151  5.690301     0.015861    0.036667   -0.026346
      5.690301  2.845151  5.690301    -0.015861   -0.053118    0.029875
      0.000000  8.535452  5.690301     0.208912   -0.036667   -0.029875
      5.690301  8.535452  5.690301    -0.208912    0.053118    0.026346
      0.000000  0.000000  2.845151     0.036534   -0.147202    0.003914
      5.690301  0.000000  2.845151    -0.036534    0.150731   -0.020365
      0.000000  5.690301  2.845151    -0.110140    0.147202    0.020365
      5.690301  5.690301  2.845151     0.110140   -0.150731   -0.003914
      0.000000  0.000000  8.535452     0.110140   -0.150731   -0.003914
      5.690301  0.000000  8.535452    -0.110140    0.147202    0.020365
      0.000000  5.690301  8.535452    -0.036534    0.150731   -0.020365
      5.690301  5.690301  8.535452     0.036534   -0.147202    0.003914

 154 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.001642   -0.024060   -0.056149
      5.690301  0.000000  0.000000    -0.001642    0.012379    0.028585
      0.000000  5.690301  0.000000     0.037536    0.024060   -0.028585
      5.690301  5.690301  0.000000    -0.037536   -0.012379    0.056149
      0.000000  0.000000  5.690301    -0.037536   -0.012379    0.056149
      5.690301  0.000000  5.690301     0.037536    0.024060   -0.028585
      0.000000  5.690301  5.690301    -0.001642    0.012379    0.028585
      5.690301  5.690301  5.690301     0.001642   -0.024060   -0.056149
      0.000000  2.845151  2.845151    -0.028283   -0.001618   -0.001800
      5.690301  2.845151  2.845151     0.028283   -0.025946   -0.009881
      0.000000  8.535452  2.845151    -0.000387    0.001618    0.009881
      5.690301  8.535452  2.845151     0.000387    0.025946    0.001800
      0.000000  2.845151  8.535452     0.000387    0.025946    0.001800
      5.690301  2.845151  8.535452    -0.000387    0.001618    0.009881
      0.000000  8.535452  8.535452     0.028283   -0.025946   -0.009881
      5.690301  8.535452  8.535452    -0.028283   -0.001618   -0.001800
      2.845151  0.000000  2.845151    -0.054531    0.009798    0.007849
      8.535452  0.000000  2.845151     0.054531   -0.018097   -0.031328
      2.845151  5.690301  2.845151    -0.030203   -0.009798    0.031328
      8.535452  5.690301  2.845151     0.030203    0.018097   -0.007849
      2.845151  0.000000  8.535452     0.030203    0.018097   -0.007849
      8.535452  0.000000  8.535452    -0.030203   -0.009798    0.031328
      2.845151  5.690301  8.535452     0.054531   -0.018097   -0.031328
      8.535452  5.690301  8.535452    -0.054531    0.009798    0.007849
      2.845151  2.845151  0.000000    -0.022260   -0.006208    0.018485
      8.535452  2.845151  0.000000     0.022260    0.029687   -0.010186
      2.845151  8.535452  0.000000     0.014179    0.006208    0.010186
      8.535452  8.535452  0.000000    -0.014179   -0.029687   -0.018485
      2.845151  2.845151  5.690301    -0.014179   -0.029687   -0.018485
      8.535452  2.845151  5.690301     0.014179    0.006208    0.010186
      2.845151  8.535452  5.690301     0.022260    0.029687   -0.010186
      8.535452  8.535452  5.690301    -0.022260   -0.006208    0.018485
      2.845151  2.845151  2.845151    -0.238924   -0.125123    0.054217
      8.535452  2.845151  2.845151     0.238924    0.016426   -0.100280
      2.845151  8.535452  2.845151    -0.095226    0.125123    0.100280
      8.535452  8.535452  2.845151     0.095226   -0.016426   -0.054217
      2.845151  2.845151  8.535452     0.095226   -0.016426   -0.054217
      8.535452  2.845151  8.535452    -0.095226    0.125123    0.100280
      2.845151  8.535452  8.535452     0.238924    0.016426   -0.100280
      8.535452  8.535452  8.535452    -0.238924   -0.125123    0.054217
      2.845151  0.000000  0.000000    -0.063902    0.031972    0.002182
      8.535452  0.000000  0.000000     0.063902   -0.078035   -0.110879
      2.845151  5.690301  0.000000     0.032036   -0.031972    0.110879
      8.535452  5.690301  0.000000    -0.032036    0.078035   -0.002182
      2.845151  0.000000  5.690301    -0.032036    0.078035   -0.002182
      8.535452  0.000000  5.690301     0.032036   -0.031972    0.110879
      2.845151  5.690301  5.690301     0.063902   -0.078035   -0.110879
      8.535452  5.690301  5.690301    -0.063902    0.031972    0.002182
      0.000000  2.845151  0.000000     0.022245    0.094264   -0.150711
      5.690301  2.845151  0.000000    -0.022245   -0.001674    0.183438
      0.000000  8.535452  0.000000     0.132252   -0.094264   -0.183438
      5.690301  8.535452  0.000000    -0.132252    0.001674    0.150711
      0.000000  2.845151  5.690301    -0.132252    0.001674    0.150711
      5.690301  2.845151  5.690301     0.132252   -0.094264   -0.183438
      0.000000  8.535452  5.690301    -0.022245   -0.001674    0.183438
      5.690301  8.535452  5.690301     0.022245    0.094264   -0.150711
      0.000000  0.000000  2.845151    -0.127305   -0.088212   -0.030362
      5.690301  0.000000  2.845151     0.127305    0.055485   -0.062228
      0.000000  5.690301  2.845151     0.014244    0.088212    0.062228
      5.690301  5.690301  2.845151    -0.014244   -0.055485    0.030362
      0.000000  0.000000  8.535452    -0.014244   -0.055485    0.030362
      5.690301  0.000000  8.535452     0.014244    0.088212    0.062228
      0.000000  5.690301  8.535452     0.127305    0.055485   -0.062228
      5.690301  5.690301  8.535452    -0.127305   -0.088212   -0.030362

 155 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.041419   -0.029258   -0.012065
      5.690301  0.000000  0.000000    -0.041419    0.038021   -0.007893
      0.000000  5.690301  0.000000    -0.007215    0.029258    0.007893
      5.690301  5.690301  0.000000     0.007215   -0.038021    0.012065
      0.000000  0.000000  5.690301     0.007215   -0.038021    0.012065
      5.690301  0.000000  5.690301    -0.007215    0.029258    0.007893
      0.000000  5.690301  5.690301    -0.041419    0.038021   -0.007893
      5.690301  5.690301  5.690301     0.041419   -0.029258   -0.012065
      0.000000  2.845151  2.845151     0.037151   -0.035693    0.008540
      5.690301  2.845151  2.845151    -0.037151    0.015735    0.000223
      0.000000  8.535452  2.845151    -0.017430    0.035693   -0.000223
      5.690301  8.535452  2.845151     0.017430   -0.015735   -0.008540
      0.000000  2.845151  8.535452     0.017430   -0.015735   -0.008540
      5.690301  2.845151  8.535452    -0.017430    0.035693   -0.000223
      0.000000  8.535452  8.535452    -0.037151    0.015735    0.000223
      5.690301  8.535452  8.535452     0.037151   -0.035693    0.008540
      2.845151  0.000000  2.845151     0.023628   -0.036415    0.011283
      8.535452  0.000000  2.845151    -0.023628    0.018166   -0.022921
      2.845151  5.690301  2.845151    -0.027800    0.036415    0.022921
      8.535452  5.690301  2.845151     0.027800   -0.018166   -0.011283
      2.845151  0.000000  8.535452     0.027800   -0.018166   -0.011283
      8.535452  0.000000  8.535452    -0.027800    0.036415    0.022921
      2.845151  5.690301  8.535452    -0.023628    0.018166   -0.022921
      8.535452  5.690301  8.535452     0.023628   -0.036415    0.011283
      2.845151  2.845151  0.000000    -0.037798    0.030136   -0.000736
      8.535452  2.845151  0.000000     0.037798   -0.018498    0.018985
      2.845151  8.535452  0.000000     0.029481   -0.030136   -0.018985
      8.535452  8.535452  0.000000    -0.029481    0.018498    0.000736
      2.845151  2.845151  5.690301    -0.029481    0.018498    0.000736
      8.535452  2.845151  5.690301     0.029481   -0.030136   -0.018985
      2.845151  8.535452  5.690301     0.037798   -0.018498    0.018985
      8.535452  8.535452  5.690301    -0.037798    0.030136   -0.000736
      2.845151  2.845151  2.845151    -0.140884    0.056542    0.084721
      8.535452  2.845151  2.845151     0.140884   -0.135246   -0.050164
      2.845151  8.535452  2.845151     0.124433   -0.056542    0.050164
      8.535452  8.535452  2.845151    -0.124433    0.135246   -0.084721
      2.845151  2.845151  8.535452    -0.124433    0.135246   -0.084721
      8.535452  2.845151  8.535452     0.124433   -0.056542    0.050164
      2.845151  8.535452  8.535452     0.140884   -0.135246   -0.050164
      8.535452  8.535452  8.535452    -0.140884    0.056542    0.084721
      2.845151  0.000000  0.000000     0.085002   -0.090341   -0.078236
      8.535452  0.000000  0.000000    -0.085002    0.124898   -0.000467
      2.845151  5.690301  0.000000    -0.117802    0.090341    0.000467
      8.535452  5.690301  0.000000     0.117802   -0.124898    0.078236
      2.845151  0.000000  5.690301     0.117802   -0.124898    0.078236
      8.535452  0.000000  5.690301    -0.117802    0.090341    0.000467
      2.845151  5.690301  5.690301    -0.085002    0.124898   -0.000467
      8.535452  5.690301  5.690301     0.085002   -0.090341   -0.078236
      0.000000  2.845151  0.000000     0.175062   -0.078456    0.027757
      5.690301  2.845151  0.000000    -0.175062    0.124349    0.044208
      0.000000  8.535452  0.000000    -0.040177    0.078456   -0.044208
      5.690301  8.535452  0.000000     0.040177   -0.124349   -0.027757
      0.000000  2.845151  5.690301     0.040177   -0.124349   -0.027757
      5.690301  2.845151  5.690301    -0.040177    0.078456   -0.044208
      0.000000  8.535452  5.690301    -0.175062    0.124349    0.044208
      5.690301  8.535452  5.690301     0.175062   -0.078456    0.027757
      0.000000  0.000000  2.845151     0.134779   -0.168641   -0.006546
      5.690301  0.000000  2.845151    -0.134779    0.096676   -0.039346
      0.000000  5.690301  2.845151    -0.057009    0.168641    0.039346
      5.690301  5.690301  2.845151     0.057009   -0.096676    0.006546
      0.000000  0.000000  8.535452     0.057009   -0.096676    0.006546
      5.690301  0.000000  8.535452    -0.057009    0.168641    0.039346
      0.000000  5.690301  8.535452    -0.134779    0.096676   -0.039346
      5.690301  5.690301  8.535452     0.134779   -0.168641   -0.006546

 156 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.028204    0.021924   -0.022255
      5.690301  0.000000  0.000000     0.028204    0.008598   -0.038101
      0.000000  5.690301  0.000000    -0.024955   -0.021924    0.038101
      5.690301  5.690301  0.000000     0.024955   -0.008598    0.022255
      0.000000  0.000000  5.690301     0.024955   -0.008598    0.022255
      5.690301  0.000000  5.690301    -0.024955   -0.021924    0.038101
      0.000000  5.690301  5.690301     0.028204    0.008598   -0.038101
      5.690301  5.690301  5.690301    -0.028204    0.021924   -0.022255
      0.000000  2.845151  2.845151    -0.017543   -0.031257    0.024580
      5.690301  2.845151  2.845151     0.017543   -0.029100    0.005941
      0.000000  8.535452  2.845151    -0.038979    0.031257   -0.005941
      5.690301  8.535452  2.845151     0.038979    0.029100   -0.024580
      0.000000  2.845151  8.535452     0.038979    0.029100   -0.024580
      5.690301  2.845151  8.535452    -0.038979    0.031257   -0.005941
      0.000000  8.535452  8.535452     0.017543   -0.029100    0.005941
      5.690301  8.535452  8.535452    -0.017543   -0.031257    0.024580
      2.845151  0.000000  2.845151     0.009001   -0.027283   -0.049823
      8.535452  0.000000  2.845151    -0.009001   -0.005847    0.003335
      2.845151  5.690301  2.845151     0.006845    0.027283   -0.003335
      8.535452  5.690301  2.845151    -0.006845    0.005847    0.049823
      2.845151  0.000000  8.535452    -0.006845    0.005847    0.049823
      8.535452  0.000000  8.535452     0.006845    0.027283   -0.003335
      2.845151  5.690301  8.535452    -0.009001   -0.005847    0.003335
      8.535452  5.690301  8.535452     0.009001   -0.027283   -0.049823
      2.845151  2.845151  0.000000    -0.002657    0.021620    0.044826
      8.535452  2.845151  0.000000     0.002657    0.024869   -0.011695
      2.845151  8.535452  0.000000    -0.015982   -0.021620    0.011695
      8.535452  8.535452  0.000000     0.015982   -0.024869   -0.044826
      2.845151  2.845151  5.690301     0.015982   -0.024869   -0.044826
      8.535452  2.845151  5.690301    -0.015982   -0.021620    0.011695
      2.845151  8.535452  5.690301     0.002657    0.024869   -0.011695
      8.535452  8.535452  5.690301    -0.002657    0.021620    0.044826
      2.845151  2.845151  2.845151     0.057520   -0.125415   -0.044634
      8.535452  2.845151  2.845151    -0.057520   -0.112603    0.164996
      2.845151  8.535452  2.845151     0.004969    0.125415   -0.164996
      8.535452  8.535452  2.845151    -0.004969    0.112603    0.044634
      2.845151  2.845151  8.535452    -0.004969    0.112603    0.044634
      8.535452  2.845151  8.535452     0.004969    0.125415   -0.164996
      2.845151  8.535452  8.535452    -0.057520   -0.112603    0.164996
      8.535452  8.535452  8.535452     0.057520   -0.125415   -0.044634
      2.845151  0.000000  0.000000    -0.032500    0.017914   -0.007563
      8.535452  0.000000  0.000000     0.032500    0.102448   -0.230455
      2.845151  5.690301  0.000000    -0.041003   -0.017914    0.230455
      8.535452  5.690301  0.000000     0.041003   -0.102448    0.007563
      2.845151  0.000000  5.690301     0.041003   -0.102448    0.007563
      8.535452  0.000000  5.690301    -0.041003   -0.017914    0.230455
      2.845151  5.690301  5.690301     0.032500    0.102448   -0.230455
      8.535452  5.690301  5.690301    -0.032500    0.017914   -0.007563
      0.000000  2.845151  0.000000    -0.062548    0.087412    0.096570
      5.690301  2.845151  0.000000     0.062548    0.095915    0.034081
      0.000000  8.535452  0.000000    -0.147082   -0.087412   -0.034081
      5.690301  8.535452  0.000000     0.147082   -0.095915   -0.096570
      0.000000  2.845151  5.690301     0.147082   -0.095915   -0.096570
      5.690301  2.845151  5.690301    -0.147082   -0.087412   -0.034081
      0.000000  8.535452  5.690301     0.062548    0.095915    0.034081
      5.690301  8.535452  5.690301    -0.062548    0.087412    0.096570
      0.000000  0.000000  2.845151    -0.117852   -0.039050   -0.054912
      5.690301  0.000000  2.845151     0.117852   -0.091601   -0.128415
      0.000000  5.690301  2.845151    -0.105040    0.039050    0.128415
      5.690301  5.690301  2.845151     0.105040    0.091601    0.054912
      0.000000  0.000000  8.535452     0.105040    0.091601    0.054912
      5.690301  0.000000  8.535452    -0.105040    0.039050    0.128415
      0.000000  5.690301  8.535452     0.117852   -0.091601   -0.128415
      5.690301  5.690301  8.535452    -0.117852   -0.039050   -0.054912

 157 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.013353   -0.003458   -0.013128
      5.690301  0.000000  0.000000     0.013353    0.011589   -0.011981
      0.000000  5.690301  0.000000    -0.002640    0.003458    0.011981
      5.690301  5.690301  0.000000     0.002640   -0.011589    0.013128
      0.000000  0.000000  5.690301     0.002640   -0.011589    0.013128
      5.690301  0.000000  5.690301    -0.002640    0.003458    0.011981
      0.000000  5.690301  5.690301     0.013353    0.011589   -0.011981
      5.690301  5.690301  5.690301    -0.013353   -0.003458   -0.013128
      0.000000  2.845151  2.845151     0.007850   -0.010169   -0.051836
      5.690301  2.845151  2.845151    -0.007850   -0.014939    0.059967
      0.000000  8.535452  2.845151     0.013041    0.010169   -0.059967
      5.690301  8.535452  2.845151    -0.013041    0.014939    0.051836
      0.000000  2.845151  8.535452    -0.013041    0.014939    0.051836
      5.690301  2.845151  8.535452     0.013041    0.010169   -0.059967
      0.000000  8.535452  8.535452    -0.007850   -0.014939    0.059967
      5.690301  8.535452  8.535452     0.007850   -0.010169   -0.051836
      2.845151  0.000000  2.845151    -0.002958   -0.011755   -0.008055
      8.535452  0.000000  2.845151     0.002958   -0.016947    0.007938
      2.845151  5.690301  2.845151     0.001811    0.011755   -0.007938
      8.535452  5.690301  2.845151    -0.001811    0.016947    0.008055
      2.845151  0.000000  8.535452    -0.001811    0.016947    0.008055
      8.535452  0.000000  8.535452     0.001811    0.011755   -0.007938
      2.845151  5.690301  8.535452     0.002958   -0.016947    0.007938
      8.535452  5.690301  8.535452    -0.002958   -0.011755   -0.008055
      2.845151  2.845151  0.000000     0.048377   -0.005299    0.003906
      8.535452  2.845151  0.000000    -0.048377    0.005415    0.024796
      2.845151  8.535452  0.000000     0.063425    0.005299   -0.024796
      8.535452  8.535452  0.000000    -0.063425   -0.005415   -0.003906
      2.845151  2.845151  5.690301    -0.063425   -0.005415   -0.003906
      8.535452  2.845151  5.690301     0.063425    0.005299   -0.024796
      2.845151  8.535452  5.690301    -0.048377    0.005415    0.024796
      8.535452  8.535452  5.690301     0.048377   -0.005299    0.003906
      2.845151  2.845151  2.845151    -0.031931   -0.070633   -0.015502
      8.535452  2.845151  2.845151     0.031931   -0.028382    0.047567
      2.845151  8.535452  2.845151     0.027408    0.070633   -0.047567
      8.535452  8.535452  2.845151    -0.027408    0.028382    0.015502
      2.845151  2.845151  8.535452    -0.027408    0.028382    0.015502
      8.535452  2.845151  8.535452     0.027408    0.070633   -0.047567
      2.845151  8.535452  8.535452     0.031931   -0.028382    0.047567
      8.535452  8.535452  8.535452    -0.031931   -0.070633   -0.015502
      2.845151  0.000000  0.000000     0.211042    0.026269   -0.090699
      8.535452  0.000000  0.000000    -0.211042    0.005797   -0.008316
      2.845151  5.690301  0.000000     0.229852   -0.026269    0.008316
      8.535452  5.690301  0.000000    -0.229852   -0.005797    0.090699
      2.845151  0.000000  5.690301    -0.229852   -0.005797    0.090699
      8.535452  0.000000  5.690301     0.229852   -0.026269    0.008316
      2.845151  5.690301  5.690301    -0.211042    0.005797   -0.008316
      8.535452  5.690301  5.690301     0.211042    0.026269   -0.090699
      0.000000  2.845151  0.000000    -0.041770    0.009634    0.054332
      5.690301  2.845151  0.000000     0.041770   -0.009176    0.058855
      0.000000  8.535452  0.000000    -0.021298   -0.009634   -0.058855
      5.690301  8.535452  0.000000     0.021298    0.009176   -0.054332
      0.000000  2.845151  5.690301     0.021298    0.009176   -0.054332
      5.690301  2.845151  5.690301    -0.021298   -0.009634   -0.058855
      0.000000  8.535452  5.690301     0.041770   -0.009176    0.058855
      5.690301  8.535452  5.690301    -0.041770    0.009634    0.054332
      0.000000  0.000000  2.845151     0.020066   -0.086263   -0.220676
      5.690301  0.000000  2.845151    -0.020066   -0.026924    0.220218
      0.000000  5.690301  2.845151     0.062317    0.086263   -0.220218
      5.690301  5.690301  2.845151    -0.062317    0.026924    0.220676
      0.000000  0.000000  8.535452    -0.062317    0.026924    0.220676
      5.690301  0.000000  8.535452     0.062317    0.086263   -0.220218
      0.000000  5.690301  8.535452    -0.020066   -0.026924    0.220218
      5.690301  5.690301  8.535452     0.020066   -0.086263   -0.220676

 158 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.007731   -0.016879    0.032404
      5.690301  0.000000  0.000000     0.007731   -0.031234    0.039730
      0.000000  5.690301  0.000000     0.008011    0.016879   -0.039730
      5.690301  5.690301  0.000000    -0.008011    0.031234   -0.032404
      0.000000  0.000000  5.690301    -0.008011    0.031234   -0.032404
      5.690301  0.000000  5.690301     0.008011    0.016879   -0.039730
      0.000000  5.690301  5.690301     0.007731   -0.031234    0.039730
      5.690301  5.690301  5.690301    -0.007731   -0.016879    0.032404
      0.000000  2.845151  2.845151    -0.003766    0.020883   -0.031694
      5.690301  2.845151  2.845151     0.003766    0.051251   -0.016419
      0.000000  8.535452  2.845151    -0.028315   -0.020883    0.016419
      5.690301  8.535452  2.845151     0.028315   -0.051251    0.031694
      0.000000  2.845151  8.535452     0.028315   -0.051251    0.031694
      5.690301  2.845151  8.535452    -0.028315   -0.020883    0.016419
      0.000000  8.535452  8.535452     0.003766    0.051251   -0.016419
      5.690301  8.535452  8.535452    -0.003766    0.020883   -0.031694
      2.845151  0.000000  2.845151     0.011520   -0.037982   -0.020157
      8.535452  0.000000  2.845151    -0.011520   -0.013433   -0.020437
      2.845151  5.690301  2.845151    -0.018847    0.037982    0.020437
      8.535452  5.690301  2.845151     0.018847    0.013433    0.020157
      2.845151  0.000000  8.535452     0.018847    0.013433    0.020157
      8.535452  0.000000  8.535452    -0.018847    0.037982    0.020437
      2.845151  5.690301  8.535452    -0.011520   -0.013433   -0.020437
      8.535452  5.690301  8.535452     0.011520   -0.037982   -0.020157
      2.845151  2.845151  0.000000     0.014816    0.012425    0.041748
      8.535452  2.845151  0.000000    -0.014816    0.028168    0.009667
      2.845151  8.535452  0.000000     0.000460   -0.012425   -0.009667
      8.535452  8.535452  0.000000    -0.000460   -0.028168   -0.041748
      2.845151  2.845151  5.690301    -0.000460   -0.028168   -0.041748
      8.535452  2.845151  5.690301     0.000460   -0.012425   -0.009667
      2.845151  8.535452  5.690301    -0.014816    0.028168    0.009667
      8.535452  8.535452  5.690301     0.014816    0.012425    0.041748
      2.845151  2.845151  2.845151     0.013859    0.111190   -0.094315
      8.535452  2.845151  2.845151    -0.013859    0.173271   -0.095419
      2.845151  8.535452  2.845151    -0.042751   -0.111190    0.095419
      8.535452  8.535452  2.845151     0.042751   -0.173271    0.094315
      2.845151  2.845151  8.535452     0.042751   -0.173271    0.094315
      8.535452  2.845151  8.535452    -0.042751   -0.111190    0.095419
      2.845151  8.535452  8.535452    -0.013859    0.173271   -0.095419
      8.535452  8.535452  8.535452     0.013859    0.111190   -0.094315
      2.845151  0.000000  0.000000     0.089997   -0.143272    0.205487
      8.535452  0.000000  0.000000    -0.089997   -0.046463    0.078974
      2.845151  5.690301  0.000000    -0.029757    0.143272   -0.078974
      8.535452  5.690301  0.000000     0.029757    0.046463   -0.205487
      2.845151  0.000000  5.690301     0.029757    0.046463   -0.205487
      8.535452  0.000000  5.690301    -0.029757    0.143272   -0.078974
      2.845151  5.690301  5.690301    -0.089997   -0.046463    0.078974
      8.535452  5.690301  5.690301     0.089997   -0.143272    0.205487
      0.000000  2.845151  0.000000     0.048956    0.020164    0.086932
      5.690301  2.845151  0.000000    -0.048956    0.139917    0.115824
      0.000000  8.535452  0.000000    -0.047853   -0.020164   -0.115824
      5.690301  8.535452  0.000000     0.047853   -0.139917   -0.086932
      0.000000  2.845151  5.690301     0.047853   -0.139917   -0.086932
      5.690301  2.845151  5.690301    -0.047853   -0.020164   -0.115824
      0.000000  8.535452  5.690301    -0.048956    0.139917    0.115824
      5.690301  8.535452  5.690301     0.048956    0.020164    0.086932
      0.000000  0.000000  2.845151    -0.094297   -0.073073   -0.110161
      5.690301  0.000000  2.845151     0.094297   -0.129683   -0.049921
      0.000000  5.690301  2.845151    -0.032216    0.073073    0.049921
      5.690301  5.690301  2.845151     0.032216    0.129683    0.110161
      0.000000  0.000000  8.535452     0.032216    0.129683    0.110161
      5.690301  0.000000  8.535452    -0.032216    0.073073    0.049921
      0.000000  5.690301  8.535452     0.094297   -0.129683   -0.049921
      5.690301  5.690301  8.535452    -0.094297   -0.073073   -0.110161

 159 f  =    3.242761 THz    20.374868 2PiTHz  108.166857 cm-1    13.410986 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.004450   -0.002271    0.004558
      5.690301  0.000000  0.000000     0.004450   -0.000712    0.001940
      0.000000  5.690301  0.000000    -0.000608    0.002271   -0.001940
      5.690301  5.690301  0.000000     0.000608    0.000712   -0.004558
      0.000000  0.000000  5.690301     0.000608    0.000712   -0.004558
      5.690301  0.000000  5.690301    -0.000608    0.002271   -0.001940
      0.000000  5.690301  5.690301     0.004450   -0.000712    0.001940
      5.690301  5.690301  5.690301    -0.004450   -0.002271    0.004558
      0.000000  2.845151  2.845151     0.014463    0.002066   -0.010430
      5.690301  2.845151  2.845151    -0.014463    0.004432    0.007447
      0.000000  8.535452  2.845151     0.005097   -0.002066   -0.007447
      5.690301  8.535452  2.845151    -0.005097   -0.004432    0.010430
      0.000000  2.845151  8.535452    -0.005097   -0.004432    0.010430
      5.690301  2.845151  8.535452     0.005097   -0.002066   -0.007447
      0.000000  8.535452  8.535452    -0.014463    0.004432    0.007447
      5.690301  8.535452  8.535452     0.014463    0.002066   -0.010430
      2.845151  0.000000  2.845151     0.002493    0.035605   -0.046449
      8.535452  0.000000  2.845151    -0.002493    0.044971   -0.041391
      2.845151  5.690301  2.845151     0.000126   -0.035605    0.041391
      8.535452  5.690301  2.845151    -0.000126   -0.044971    0.046449
      2.845151  0.000000  8.535452    -0.000126   -0.044971    0.046449
      8.535452  0.000000  8.535452     0.000126   -0.035605    0.041391
      2.845151  5.690301  8.535452    -0.002493    0.044971   -0.041391
      8.535452  5.690301  8.535452     0.002493    0.035605   -0.046449
      2.845151  2.845151  0.000000     0.008159    0.041999   -0.050068
      8.535452  2.845151  0.000000    -0.008159    0.045841   -0.030508
      2.845151  8.535452  0.000000     0.009718   -0.041999    0.030508
      8.535452  8.535452  0.000000    -0.009718   -0.045841    0.050068
      2.845151  2.845151  5.690301    -0.009718   -0.045841    0.050068
      8.535452  2.845151  5.690301     0.009718   -0.041999    0.030508
      2.845151  8.535452  5.690301    -0.008159    0.045841   -0.030508
      8.535452  8.535452  5.690301     0.008159    0.041999   -0.050068
      2.845151  2.845151  2.845151     0.002089    0.005237   -0.015854
      8.535452  2.845151  2.845151    -0.002089    0.020388    0.004094
      2.845151  8.535452  2.845151     0.008237   -0.005237   -0.004094
      8.535452  8.535452  2.845151    -0.008237   -0.020388    0.015854
      2.845151  2.845151  8.535452    -0.008237   -0.020388    0.015854
      8.535452  2.845151  8.535452     0.008237   -0.005237   -0.004094
      2.845151  8.535452  8.535452    -0.002089    0.020388    0.004094
      8.535452  8.535452  8.535452     0.002089    0.005237   -0.015854
      2.845151  0.000000  0.000000     0.039916   -0.024347   -0.025754
      8.535452  0.000000  0.000000    -0.039916    0.012586    0.051379
      2.845151  5.690301  0.000000     0.030582    0.024347   -0.051379
      8.535452  5.690301  0.000000    -0.030582   -0.012586    0.025754
      2.845151  0.000000  5.690301    -0.030582   -0.012586    0.025754
      8.535452  0.000000  5.690301     0.030582    0.024347   -0.051379
      2.845151  5.690301  5.690301    -0.039916    0.012586    0.051379
      8.535452  5.690301  5.690301     0.039916   -0.024347   -0.025754
      0.000000  2.845151  0.000000     0.008493    0.168531   -0.153714
      5.690301  2.845151  0.000000    -0.008493    0.177865   -0.164040
      0.000000  8.535452  0.000000    -0.028441   -0.168531    0.164040
      5.690301  8.535452  0.000000     0.028441   -0.177865    0.153714
      0.000000  2.845151  5.690301     0.028441   -0.177865    0.153714
      5.690301  2.845151  5.690301    -0.028441   -0.168531    0.164040
      0.000000  8.535452  5.690301    -0.008493    0.177865   -0.164040
      5.690301  8.535452  5.690301     0.008493    0.168531   -0.153714
      0.000000  0.000000  2.845151     0.030991    0.155803   -0.208447
      5.690301  0.000000  2.845151    -0.030991    0.161950   -0.137949
      0.000000  5.690301  2.845151     0.046142   -0.155803    0.137949
      5.690301  5.690301  2.845151    -0.046142   -0.161950    0.208447
      0.000000  0.000000  8.535452    -0.046142   -0.161950    0.208447
      5.690301  0.000000  8.535452     0.046142   -0.155803    0.137949
      0.000000  5.690301  8.535452    -0.030991    0.161950   -0.137949
      5.690301  5.690301  8.535452     0.030991    0.155803   -0.208447

 160 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.072089    0.024172    0.003277
      5.690301  0.000000  0.000000    -0.072089   -0.024172   -0.003277
      0.000000  5.690301  0.000000     0.072089    0.024172   -0.003277
      5.690301  5.690301  0.000000     0.072089   -0.024172    0.003277
      0.000000  0.000000  5.690301     0.072089   -0.024172    0.003277
      5.690301  0.000000  5.690301     0.072089    0.024172   -0.003277
      0.000000  5.690301  5.690301    -0.072089   -0.024172   -0.003277
      5.690301  5.690301  5.690301    -0.072089    0.024172    0.003277
      0.000000  2.845151  2.845151    -0.067375   -0.111987    0.085362
      5.690301  2.845151  2.845151    -0.067375    0.111987   -0.085362
      0.000000  8.535452  2.845151     0.067375   -0.111987   -0.085362
      5.690301  8.535452  2.845151     0.067375    0.111987    0.085362
      0.000000  2.845151  8.535452     0.067375    0.111987    0.085362
      5.690301  2.845151  8.535452     0.067375   -0.111987   -0.085362
      0.000000  8.535452  8.535452    -0.067375    0.111987   -0.085362
      5.690301  8.535452  8.535452    -0.067375   -0.111987    0.085362
      2.845151  0.000000  2.845151    -0.038657   -0.012735   -0.065182
      8.535452  0.000000  2.845151    -0.038657    0.012735    0.065182
      2.845151  5.690301  2.845151     0.038657   -0.012735    0.065182
      8.535452  5.690301  2.845151     0.038657    0.012735   -0.065182
      2.845151  0.000000  8.535452     0.038657    0.012735   -0.065182
      8.535452  0.000000  8.535452     0.038657   -0.012735    0.065182
      2.845151  5.690301  8.535452    -0.038657    0.012735    0.065182
      8.535452  5.690301  8.535452    -0.038657   -0.012735   -0.065182
      2.845151  2.845151  0.000000    -0.053003    0.137094   -0.000040
      8.535452  2.845151  0.000000    -0.053003   -0.137094    0.000040
      2.845151  8.535452  0.000000     0.053003    0.137094    0.000040
      8.535452  8.535452  0.000000     0.053003   -0.137094   -0.000040
      2.845151  2.845151  5.690301     0.053003   -0.137094   -0.000040
      8.535452  2.845151  5.690301     0.053003    0.137094    0.000040
      2.845151  8.535452  5.690301    -0.053003   -0.137094    0.000040
      8.535452  8.535452  5.690301    -0.053003    0.137094   -0.000040
      2.845151  2.845151  2.845151    -0.072801   -0.013760   -0.000043
      8.535452  2.845151  2.845151    -0.072801    0.013760    0.000043
      2.845151  8.535452  2.845151     0.072801   -0.013760    0.000043
      8.535452  8.535452  2.845151     0.072801    0.013760   -0.000043
      2.845151  2.845151  8.535452     0.072801    0.013760   -0.000043
      8.535452  2.845151  8.535452     0.072801   -0.013760    0.000043
      2.845151  8.535452  8.535452    -0.072801    0.013760    0.000043
      8.535452  8.535452  8.535452    -0.072801   -0.013760   -0.000043
      2.845151  0.000000  0.000000    -0.077895    0.148135   -0.070432
      8.535452  0.000000  0.000000    -0.077895   -0.148135    0.070432
      2.845151  5.690301  0.000000     0.077895    0.148135    0.070432
      8.535452  5.690301  0.000000     0.077895   -0.148135   -0.070432
      2.845151  0.000000  5.690301     0.077895   -0.148135   -0.070432
      8.535452  0.000000  5.690301     0.077895    0.148135    0.070432
      2.845151  5.690301  5.690301    -0.077895   -0.148135    0.070432
      8.535452  5.690301  5.690301    -0.077895    0.148135   -0.070432
      0.000000  2.845151  0.000000    -0.057272    0.026119    0.092237
      5.690301  2.845151  0.000000    -0.057272   -0.026119   -0.092237
      0.000000  8.535452  0.000000     0.057272    0.026119   -0.092237
      5.690301  8.535452  0.000000     0.057272   -0.026119    0.092237
      0.000000  2.845151  5.690301     0.057272   -0.026119    0.092237
      5.690301  2.845151  5.690301     0.057272    0.026119   -0.092237
      0.000000  8.535452  5.690301    -0.057272   -0.026119   -0.092237
      5.690301  8.535452  5.690301    -0.057272    0.026119    0.092237
      0.000000  0.000000  2.845151    -0.041771   -0.121006    0.003540
      5.690301  0.000000  2.845151    -0.041771    0.121006   -0.003540
      0.000000  5.690301  2.845151     0.041771   -0.121006   -0.003540
      5.690301  5.690301  2.845151     0.041771    0.121006    0.003540
      0.000000  0.000000  8.535452     0.041771    0.121006    0.003540
      5.690301  0.000000  8.535452     0.041771   -0.121006   -0.003540
      0.000000  5.690301  8.535452    -0.041771    0.121006   -0.003540
      5.690301  5.690301  8.535452    -0.041771   -0.121006    0.003540

 161 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.020281    0.121582    0.064756
      5.690301  0.000000  0.000000     0.020281   -0.121582   -0.064756
      0.000000  5.690301  0.000000    -0.020281    0.121582   -0.064756
      5.690301  5.690301  0.000000    -0.020281   -0.121582    0.064756
      0.000000  0.000000  5.690301    -0.020281   -0.121582    0.064756
      5.690301  0.000000  5.690301    -0.020281    0.121582   -0.064756
      0.000000  5.690301  5.690301     0.020281   -0.121582   -0.064756
      5.690301  5.690301  5.690301     0.020281    0.121582    0.064756
      0.000000  2.845151  2.845151     0.014963    0.031949    0.063824
      5.690301  2.845151  2.845151     0.014963   -0.031949   -0.063824
      0.000000  8.535452  2.845151    -0.014963    0.031949   -0.063824
      5.690301  8.535452  2.845151    -0.014963   -0.031949    0.063824
      0.000000  2.845151  8.535452    -0.014963   -0.031949    0.063824
      5.690301  2.845151  8.535452    -0.014963    0.031949   -0.063824
      0.000000  8.535452  8.535452     0.014963   -0.031949   -0.063824
      5.690301  8.535452  8.535452     0.014963    0.031949    0.063824
      2.845151  0.000000  2.845151     0.038854    0.130944   -0.056578
      8.535452  0.000000  2.845151     0.038854   -0.130944    0.056578
      2.845151  5.690301  2.845151    -0.038854    0.130944    0.056578
      8.535452  5.690301  2.845151    -0.038854   -0.130944   -0.056578
      2.845151  0.000000  8.535452    -0.038854   -0.130944   -0.056578
      8.535452  0.000000  8.535452    -0.038854    0.130944    0.056578
      2.845151  5.690301  8.535452     0.038854   -0.130944    0.056578
      8.535452  5.690301  8.535452     0.038854    0.130944   -0.056578
      2.845151  2.845151  0.000000    -0.045679   -0.040025    0.086128
      8.535452  2.845151  0.000000    -0.045679    0.040025   -0.086128
      2.845151  8.535452  0.000000     0.045679   -0.040025   -0.086128
      8.535452  8.535452  0.000000     0.045679    0.040025    0.086128
      2.845151  2.845151  5.690301     0.045679    0.040025    0.086128
      8.535452  2.845151  5.690301     0.045679   -0.040025   -0.086128
      2.845151  8.535452  5.690301    -0.045679    0.040025   -0.086128
      8.535452  8.535452  5.690301    -0.045679   -0.040025    0.086128
      2.845151  2.845151  2.845151     0.016168    0.141490    0.093064
      8.535452  2.845151  2.845151     0.016168   -0.141490   -0.093064
      2.845151  8.535452  2.845151    -0.016168    0.141490   -0.093064
      8.535452  8.535452  2.845151    -0.016168   -0.141490    0.093064
      2.845151  2.845151  8.535452    -0.016168   -0.141490    0.093064
      8.535452  2.845151  8.535452    -0.016168    0.141490   -0.093064
      2.845151  8.535452  8.535452     0.016168   -0.141490   -0.093064
      8.535452  8.535452  8.535452     0.016168    0.141490    0.093064
      2.845151  0.000000  0.000000     0.021914   -0.043249   -0.061135
      8.535452  0.000000  0.000000     0.021914    0.043249    0.061135
      2.845151  5.690301  0.000000    -0.021914   -0.043249    0.061135
      8.535452  5.690301  0.000000    -0.021914    0.043249   -0.061135
      2.845151  0.000000  5.690301    -0.021914    0.043249   -0.061135
      8.535452  0.000000  5.690301    -0.021914   -0.043249    0.061135
      2.845151  5.690301  5.690301     0.021914    0.043249    0.061135
      8.535452  5.690301  5.690301     0.021914   -0.043249   -0.061135
      0.000000  2.845151  0.000000    -0.049357    0.131374    0.068964
      5.690301  2.845151  0.000000    -0.049357   -0.131374   -0.068964
      0.000000  8.535452  0.000000     0.049357    0.131374   -0.068964
      5.690301  8.535452  0.000000     0.049357   -0.131374    0.068964
      0.000000  2.845151  5.690301     0.049357   -0.131374    0.068964
      5.690301  2.845151  5.690301     0.049357    0.131374   -0.068964
      0.000000  8.535452  5.690301    -0.049357   -0.131374   -0.068964
      5.690301  8.535452  5.690301    -0.049357    0.131374    0.068964
      0.000000  0.000000  2.845151     0.041983    0.034522    0.069972
      5.690301  0.000000  2.845151     0.041983   -0.034522   -0.069972
      0.000000  5.690301  2.845151    -0.041983    0.034522   -0.069972
      5.690301  5.690301  2.845151    -0.041983   -0.034522    0.069972
      0.000000  0.000000  8.535452    -0.041983   -0.034522    0.069972
      5.690301  0.000000  8.535452    -0.041983    0.034522   -0.069972
      0.000000  5.690301  8.535452     0.041983   -0.034522   -0.069972
      5.690301  5.690301  8.535452     0.041983    0.034522    0.069972

 162 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.061297    0.004839   -0.011591
      5.690301  0.000000  0.000000    -0.061297   -0.004839    0.011591
      0.000000  5.690301  0.000000     0.061297    0.004839    0.011591
      5.690301  5.690301  0.000000     0.061297   -0.004839   -0.011591
      0.000000  0.000000  5.690301     0.061297   -0.004839   -0.011591
      5.690301  0.000000  5.690301     0.061297    0.004839    0.011591
      0.000000  5.690301  5.690301    -0.061297   -0.004839    0.011591
      5.690301  5.690301  5.690301    -0.061297    0.004839   -0.011591
      0.000000  2.845151  2.845151    -0.038344    0.052481    0.070684
      5.690301  2.845151  2.845151    -0.038344   -0.052481   -0.070684
      0.000000  8.535452  2.845151     0.038344    0.052481   -0.070684
      5.690301  8.535452  2.845151     0.038344   -0.052481    0.070684
      0.000000  2.845151  8.535452     0.038344   -0.052481    0.070684
      5.690301  2.845151  8.535452     0.038344    0.052481   -0.070684
      0.000000  8.535452  8.535452    -0.038344   -0.052481   -0.070684
      5.690301  8.535452  8.535452    -0.038344    0.052481    0.070684
      2.845151  0.000000  2.845151    -0.136458   -0.043965   -0.085947
      8.535452  0.000000  2.845151    -0.136458    0.043965    0.085947
      2.845151  5.690301  2.845151     0.136458   -0.043965    0.085947
      8.535452  5.690301  2.845151     0.136458    0.043965   -0.085947
      2.845151  0.000000  8.535452     0.136458    0.043965   -0.085947
      8.535452  0.000000  8.535452     0.136458   -0.043965    0.085947
      2.845151  5.690301  8.535452    -0.136458    0.043965    0.085947
      8.535452  5.690301  8.535452    -0.136458   -0.043965   -0.085947
      2.845151  2.845151  0.000000     0.033438   -0.123296   -0.016491
      8.535452  2.845151  0.000000     0.033438    0.123296    0.016491
      2.845151  8.535452  0.000000    -0.033438   -0.123296    0.016491
      8.535452  8.535452  0.000000    -0.033438    0.123296   -0.016491
      2.845151  2.845151  5.690301    -0.033438    0.123296   -0.016491
      8.535452  2.845151  5.690301    -0.033438   -0.123296    0.016491
      2.845151  8.535452  5.690301     0.033438    0.123296    0.016491
      8.535452  8.535452  5.690301     0.033438   -0.123296   -0.016491
      2.845151  2.845151  2.845151    -0.041432   -0.047506   -0.017819
      8.535452  2.845151  2.845151    -0.041432    0.047506    0.017819
      2.845151  8.535452  2.845151     0.041432   -0.047506    0.017819
      8.535452  8.535452  2.845151     0.041432    0.047506   -0.017819
      2.845151  2.845151  8.535452     0.041432    0.047506   -0.017819
      8.535452  2.845151  8.535452     0.041432   -0.047506    0.017819
      2.845151  8.535452  8.535452    -0.041432    0.047506    0.017819
      8.535452  8.535452  8.535452    -0.041432   -0.047506   -0.017819
      2.845151  0.000000  0.000000    -0.066234   -0.133226   -0.092869
      8.535452  0.000000  0.000000    -0.066234    0.133226    0.092869
      2.845151  5.690301  0.000000     0.066234   -0.133226    0.092869
      8.535452  5.690301  0.000000     0.066234    0.133226   -0.092869
      2.845151  0.000000  5.690301     0.066234    0.133226   -0.092869
      8.535452  0.000000  5.690301     0.066234   -0.133226    0.092869
      2.845151  5.690301  5.690301    -0.066234    0.133226    0.092869
      8.535452  5.690301  5.690301    -0.066234   -0.133226   -0.092869
      0.000000  2.845151  0.000000     0.036131    0.005229    0.076377
      5.690301  2.845151  0.000000     0.036131   -0.005229   -0.076377
      0.000000  8.535452  0.000000    -0.036131    0.005229   -0.076377
      5.690301  8.535452  0.000000    -0.036131   -0.005229    0.076377
      0.000000  2.845151  5.690301    -0.036131   -0.005229    0.076377
      5.690301  2.845151  5.690301    -0.036131    0.005229   -0.076377
      0.000000  8.535452  5.690301     0.036131   -0.005229   -0.076377
      5.690301  8.535452  5.690301     0.036131    0.005229    0.076377
      0.000000  0.000000  2.845151    -0.147448    0.056708   -0.012524
      5.690301  0.000000  2.845151    -0.147448   -0.056708    0.012524
      0.000000  5.690301  2.845151     0.147448    0.056708    0.012524
      5.690301  5.690301  2.845151     0.147448   -0.056708   -0.012524
      0.000000  0.000000  8.535452     0.147448   -0.056708   -0.012524
      5.690301  0.000000  8.535452     0.147448    0.056708    0.012524
      0.000000  5.690301  8.535452    -0.147448   -0.056708    0.012524
      5.690301  5.690301  8.535452    -0.147448    0.056708   -0.012524

 163 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.022068    0.071911    0.002366
      5.690301  0.000000  0.000000    -0.022068   -0.071911   -0.002366
      0.000000  5.690301  0.000000     0.022068    0.071911   -0.002366
      5.690301  5.690301  0.000000     0.022068   -0.071911    0.002366
      0.000000  0.000000  5.690301     0.022068   -0.071911    0.002366
      5.690301  0.000000  5.690301     0.022068    0.071911   -0.002366
      0.000000  5.690301  5.690301    -0.022068   -0.071911   -0.002366
      5.690301  5.690301  5.690301    -0.022068    0.071911    0.002366
      0.000000  2.845151  2.845151     0.004201   -0.041060   -0.073172
      5.690301  2.845151  2.845151     0.004201    0.041060    0.073172
      0.000000  8.535452  2.845151    -0.004201   -0.041060    0.073172
      5.690301  8.535452  2.845151    -0.004201    0.041060   -0.073172
      0.000000  2.845151  8.535452    -0.004201    0.041060   -0.073172
      5.690301  2.845151  8.535452    -0.004201   -0.041060    0.073172
      0.000000  8.535452  8.535452     0.004201    0.041060    0.073172
      5.690301  8.535452  8.535452     0.004201   -0.041060   -0.073172
      2.845151  0.000000  2.845151    -0.151954    0.069769    0.125543
      8.535452  0.000000  2.845151    -0.151954   -0.069769   -0.125543
      2.845151  5.690301  2.845151     0.151954    0.069769   -0.125543
      8.535452  5.690301  2.845151     0.151954   -0.069769    0.125543
      2.845151  0.000000  8.535452     0.151954   -0.069769    0.125543
      8.535452  0.000000  8.535452     0.151954    0.069769   -0.125543
      2.845151  5.690301  8.535452    -0.151954   -0.069769   -0.125543
      8.535452  5.690301  8.535452    -0.151954    0.069769    0.125543
      2.845151  2.845151  0.000000    -0.034902   -0.000425   -0.003132
      8.535452  2.845151  0.000000    -0.034902    0.000425    0.003132
      2.845151  8.535452  0.000000     0.034902   -0.000425    0.003132
      8.535452  8.535452  0.000000     0.034902    0.000425   -0.003132
      2.845151  2.845151  5.690301     0.034902    0.000425   -0.003132
      8.535452  2.845151  5.690301     0.034902   -0.000425    0.003132
      2.845151  8.535452  5.690301    -0.034902    0.000425    0.003132
      8.535452  8.535452  5.690301    -0.034902   -0.000425   -0.003132
      2.845151  2.845151  2.845151     0.004539    0.075388   -0.003384
      8.535452  2.845151  2.845151     0.004539   -0.075388    0.003384
      2.845151  8.535452  2.845151    -0.004539    0.075388    0.003384
      8.535452  8.535452  2.845151    -0.004539   -0.075388   -0.003384
      2.845151  2.845151  8.535452    -0.004539   -0.075388   -0.003384
      8.535452  2.845151  8.535452    -0.004539    0.075388    0.003384
      2.845151  8.535452  8.535452     0.004539   -0.075388    0.003384
      8.535452  8.535452  8.535452     0.004539    0.075388   -0.003384
      2.845151  0.000000  0.000000    -0.023846   -0.000460    0.135654
      8.535452  0.000000  0.000000    -0.023846    0.000460   -0.135654
      2.845151  5.690301  0.000000     0.023846   -0.000460   -0.135654
      8.535452  5.690301  0.000000     0.023846    0.000460    0.135654
      2.845151  0.000000  5.690301     0.023846    0.000460    0.135654
      8.535452  0.000000  5.690301     0.023846   -0.000460   -0.135654
      2.845151  5.690301  5.690301    -0.023846    0.000460   -0.135654
      8.535452  5.690301  5.690301    -0.023846   -0.000460    0.135654
      0.000000  2.845151  0.000000    -0.037713    0.077703   -0.079065
      5.690301  2.845151  0.000000    -0.037713   -0.077703    0.079065
      0.000000  8.535452  0.000000     0.037713    0.077703    0.079065
      5.690301  8.535452  0.000000     0.037713   -0.077703   -0.079065
      0.000000  2.845151  5.690301     0.037713   -0.077703   -0.079065
      5.690301  2.845151  5.690301     0.037713    0.077703    0.079065
      0.000000  8.535452  5.690301    -0.037713   -0.077703    0.079065
      5.690301  8.535452  5.690301    -0.037713    0.077703   -0.079065
      0.000000  0.000000  2.845151    -0.164192   -0.044366    0.002557
      5.690301  0.000000  2.845151    -0.164192    0.044366   -0.002557
      0.000000  5.690301  2.845151     0.164192   -0.044366   -0.002557
      5.690301  5.690301  2.845151     0.164192    0.044366    0.002557
      0.000000  0.000000  8.535452     0.164192    0.044366    0.002557
      5.690301  0.000000  8.535452     0.164192   -0.044366   -0.002557
      0.000000  5.690301  8.535452    -0.164192    0.044366   -0.002557
      5.690301  5.690301  8.535452    -0.164192   -0.044366    0.002557

 164 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.075816   -0.039234    0.009290
      5.690301  0.000000  0.000000    -0.075816    0.039234   -0.009290
      0.000000  5.690301  0.000000     0.075816   -0.039234   -0.009290
      5.690301  5.690301  0.000000     0.075816    0.039234    0.009290
      0.000000  0.000000  5.690301     0.075816    0.039234    0.009290
      5.690301  0.000000  5.690301     0.075816   -0.039234   -0.009290
      0.000000  5.690301  5.690301    -0.075816    0.039234   -0.009290
      5.690301  5.690301  5.690301    -0.075816   -0.039234    0.009290
      0.000000  2.845151  2.845151    -0.007691    0.046867    0.023170
      5.690301  2.845151  2.845151    -0.007691   -0.046867   -0.023170
      0.000000  8.535452  2.845151     0.007691    0.046867   -0.023170
      5.690301  8.535452  2.845151     0.007691   -0.046867    0.023170
      0.000000  2.845151  8.535452     0.007691   -0.046867    0.023170
      5.690301  2.845151  8.535452     0.007691    0.046867   -0.023170
      0.000000  8.535452  8.535452    -0.007691   -0.046867   -0.023170
      5.690301  8.535452  8.535452    -0.007691    0.046867    0.023170
      2.845151  0.000000  2.845151     0.039372   -0.053886    0.062847
      8.535452  0.000000  2.845151     0.039372    0.053886   -0.062847
      2.845151  5.690301  2.845151    -0.039372   -0.053886   -0.062847
      8.535452  5.690301  2.845151    -0.039372    0.053886    0.062847
      2.845151  0.000000  8.535452    -0.039372    0.053886    0.062847
      8.535452  0.000000  8.535452    -0.039372   -0.053886   -0.062847
      2.845151  5.690301  8.535452     0.039372    0.053886   -0.062847
      8.535452  5.690301  8.535452     0.039372   -0.053886    0.062847
      2.845151  2.845151  0.000000    -0.190599   -0.050801    0.013788
      8.535452  2.845151  0.000000    -0.190599    0.050801   -0.013788
      2.845151  8.535452  0.000000     0.190599   -0.050801   -0.013788
      8.535452  8.535452  0.000000     0.190599    0.050801    0.013788
      2.845151  2.845151  5.690301     0.190599    0.050801    0.013788
      8.535452  2.845151  5.690301     0.190599   -0.050801   -0.013788
      2.845151  8.535452  5.690301    -0.190599    0.050801   -0.013788
      8.535452  8.535452  5.690301    -0.190599   -0.050801    0.013788
      2.845151  2.845151  2.845151    -0.008311   -0.058226    0.014899
      8.535452  2.845151  2.845151    -0.008311    0.058226   -0.014899
      2.845151  8.535452  2.845151     0.008311   -0.058226   -0.014899
      8.535452  8.535452  2.845151     0.008311    0.058226    0.014899
      2.845151  2.845151  8.535452     0.008311    0.058226    0.014899
      8.535452  2.845151  8.535452     0.008311   -0.058226   -0.014899
      2.845151  8.535452  8.535452    -0.008311    0.058226   -0.014899
      8.535452  8.535452  8.535452    -0.008311   -0.058226    0.014899
      2.845151  0.000000  0.000000    -0.081922   -0.054893    0.067908
      8.535452  0.000000  0.000000    -0.081922    0.054893   -0.067908
      2.845151  5.690301  0.000000     0.081922   -0.054893   -0.067908
      8.535452  5.690301  0.000000     0.081922    0.054893    0.067908
      2.845151  0.000000  5.690301     0.081922    0.054893    0.067908
      8.535452  0.000000  5.690301     0.081922   -0.054893   -0.067908
      2.845151  5.690301  5.690301    -0.081922    0.054893   -0.067908
      8.535452  5.690301  5.690301    -0.081922   -0.054893    0.067908
      0.000000  2.845151  0.000000    -0.205949   -0.042394    0.025036
      5.690301  2.845151  0.000000    -0.205949    0.042394   -0.025036
      0.000000  8.535452  0.000000     0.205949   -0.042394   -0.025036
      5.690301  8.535452  0.000000     0.205949    0.042394    0.025036
      0.000000  2.845151  5.690301     0.205949    0.042394    0.025036
      5.690301  2.845151  5.690301     0.205949   -0.042394   -0.025036
      0.000000  8.535452  5.690301    -0.205949    0.042394   -0.025036
      5.690301  8.535452  5.690301    -0.205949   -0.042394    0.025036
      0.000000  0.000000  2.845151     0.042543    0.050641    0.010038
      5.690301  0.000000  2.845151     0.042543   -0.050641   -0.010038
      0.000000  5.690301  2.845151    -0.042543    0.050641   -0.010038
      5.690301  5.690301  2.845151    -0.042543   -0.050641    0.010038
      0.000000  0.000000  8.535452    -0.042543   -0.050641    0.010038
      5.690301  0.000000  8.535452    -0.042543    0.050641   -0.010038
      0.000000  5.690301  8.535452     0.042543   -0.050641   -0.010038
      5.690301  5.690301  8.535452     0.042543    0.050641    0.010038

 165 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.139526    0.038034   -0.004888
      5.690301  0.000000  0.000000    -0.139526   -0.038034    0.004888
      0.000000  5.690301  0.000000     0.139526    0.038034    0.004888
      5.690301  5.690301  0.000000     0.139526   -0.038034   -0.004888
      0.000000  0.000000  5.690301     0.139526   -0.038034   -0.004888
      5.690301  0.000000  5.690301     0.139526    0.038034    0.004888
      0.000000  5.690301  5.690301    -0.139526   -0.038034    0.004888
      5.690301  5.690301  5.690301    -0.139526    0.038034   -0.004888
      0.000000  2.845151  2.845151    -0.125597    0.006322   -0.089816
      5.690301  2.845151  2.845151    -0.125597   -0.006322    0.089816
      0.000000  8.535452  2.845151     0.125597    0.006322    0.089816
      5.690301  8.535452  2.845151     0.125597   -0.006322   -0.089816
      0.000000  2.845151  8.535452     0.125597   -0.006322   -0.089816
      5.690301  2.845151  8.535452     0.125597    0.006322    0.089816
      0.000000  8.535452  8.535452    -0.125597   -0.006322    0.089816
      5.690301  8.535452  8.535452    -0.125597    0.006322   -0.089816
      2.845151  0.000000  2.845151     0.083641    0.039375    0.002644
      8.535452  0.000000  2.845151     0.083641   -0.039375   -0.002644
      2.845151  5.690301  2.845151    -0.083641    0.039375   -0.002644
      8.535452  5.690301  2.845151    -0.083641   -0.039375    0.002644
      2.845151  0.000000  8.535452    -0.083641   -0.039375    0.002644
      8.535452  0.000000  8.535452    -0.083641    0.039375   -0.002644
      2.845151  5.690301  8.535452     0.083641   -0.039375   -0.002644
      8.535452  5.690301  8.535452     0.083641    0.039375    0.002644
      2.845151  2.845151  0.000000     0.057371   -0.029916   -0.010463
      8.535452  2.845151  0.000000     0.057371    0.029916    0.010463
      2.845151  8.535452  0.000000    -0.057371   -0.029916    0.010463
      8.535452  8.535452  0.000000    -0.057371    0.029916   -0.010463
      2.845151  2.845151  5.690301    -0.057371    0.029916   -0.010463
      8.535452  2.845151  5.690301    -0.057371   -0.029916    0.010463
      2.845151  8.535452  5.690301     0.057371    0.029916    0.010463
      8.535452  8.535452  5.690301     0.057371   -0.029916   -0.010463
      2.845151  2.845151  2.845151    -0.135712    0.042546   -0.011306
      8.535452  2.845151  2.845151    -0.135712   -0.042546    0.011306
      2.845151  8.535452  2.845151     0.135712    0.042546    0.011306
      8.535452  8.535452  2.845151     0.135712   -0.042546   -0.011306
      2.845151  2.845151  8.535452     0.135712   -0.042546   -0.011306
      8.535452  2.845151  8.535452     0.135712    0.042546    0.011306
      2.845151  8.535452  8.535452    -0.135712   -0.042546    0.011306
      8.535452  8.535452  8.535452    -0.135712    0.042546   -0.011306
      2.845151  0.000000  0.000000    -0.150763   -0.032326    0.002857
      8.535452  0.000000  0.000000    -0.150763    0.032326   -0.002857
      2.845151  5.690301  0.000000     0.150763   -0.032326   -0.002857
      8.535452  5.690301  0.000000     0.150763    0.032326    0.002857
      2.845151  0.000000  5.690301     0.150763    0.032326    0.002857
      8.535452  0.000000  5.690301     0.150763   -0.032326   -0.002857
      2.845151  5.690301  5.690301    -0.150763    0.032326   -0.002857
      8.535452  5.690301  5.690301    -0.150763   -0.032326    0.002857
      0.000000  2.845151  0.000000     0.061992    0.041097   -0.097049
      5.690301  2.845151  0.000000     0.061992   -0.041097    0.097049
      0.000000  8.535452  0.000000    -0.061992    0.041097    0.097049
      5.690301  8.535452  0.000000    -0.061992   -0.041097   -0.097049
      0.000000  2.845151  5.690301    -0.061992   -0.041097   -0.097049
      5.690301  2.845151  5.690301    -0.061992    0.041097    0.097049
      0.000000  8.535452  5.690301     0.061992   -0.041097    0.097049
      5.690301  8.535452  5.690301     0.061992    0.041097   -0.097049
      0.000000  0.000000  2.845151     0.090377    0.006831   -0.005282
      5.690301  0.000000  2.845151     0.090377   -0.006831    0.005282
      0.000000  5.690301  2.845151    -0.090377    0.006831    0.005282
      5.690301  5.690301  2.845151    -0.090377   -0.006831   -0.005282
      0.000000  0.000000  8.535452    -0.090377   -0.006831   -0.005282
      5.690301  0.000000  8.535452    -0.090377    0.006831    0.005282
      0.000000  5.690301  8.535452     0.090377   -0.006831    0.005282
      5.690301  5.690301  8.535452     0.090377    0.006831   -0.005282

 166 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.010765   -0.030977    0.123028
      5.690301  0.000000  0.000000    -0.010765    0.030977   -0.123028
      0.000000  5.690301  0.000000     0.010765   -0.030977   -0.123028
      5.690301  5.690301  0.000000     0.010765    0.030977    0.123028
      0.000000  0.000000  5.690301     0.010765    0.030977    0.123028
      5.690301  0.000000  5.690301     0.010765   -0.030977   -0.123028
      0.000000  5.690301  5.690301    -0.010765    0.030977   -0.123028
      5.690301  5.690301  5.690301    -0.010765   -0.030977    0.123028
      0.000000  2.845151  2.845151    -0.021077   -0.029768   -0.014230
      5.690301  2.845151  2.845151    -0.021077    0.029768    0.014230
      0.000000  8.535452  2.845151     0.021077   -0.029768    0.014230
      5.690301  8.535452  2.845151     0.021077    0.029768   -0.014230
      0.000000  2.845151  8.535452     0.021077    0.029768   -0.014230
      5.690301  2.845151  8.535452     0.021077   -0.029768    0.014230
      0.000000  8.535452  8.535452    -0.021077    0.029768    0.014230
      5.690301  8.535452  8.535452    -0.021077   -0.029768   -0.014230
      2.845151  0.000000  2.845151    -0.020078   -0.084194    0.037788
      8.535452  0.000000  2.845151    -0.020078    0.084194   -0.037788
      2.845151  5.690301  2.845151     0.020078   -0.084194   -0.037788
      8.535452  5.690301  2.845151     0.020078    0.084194    0.037788
      2.845151  0.000000  8.535452     0.020078    0.084194    0.037788
      8.535452  0.000000  8.535452     0.020078   -0.084194   -0.037788
      2.845151  5.690301  8.535452    -0.020078    0.084194   -0.037788
      8.535452  5.690301  8.535452    -0.020078   -0.084194    0.037788
      2.845151  2.845151  0.000000     0.053678   -0.003668    0.167660
      8.535452  2.845151  0.000000     0.053678    0.003668   -0.167660
      2.845151  8.535452  0.000000    -0.053678   -0.003668   -0.167660
      8.535452  8.535452  0.000000    -0.053678    0.003668    0.167660
      2.845151  2.845151  5.690301    -0.053678    0.003668    0.167660
      8.535452  2.845151  5.690301    -0.053678   -0.003668   -0.167660
      2.845151  8.535452  5.690301     0.053678    0.003668   -0.167660
      8.535452  8.535452  5.690301     0.053678   -0.003668    0.167660
      2.845151  2.845151  2.845151    -0.022775   -0.090974    0.181163
      8.535452  2.845151  2.845151    -0.022775    0.090974   -0.181163
      2.845151  8.535452  2.845151     0.022775   -0.090974   -0.181163
      8.535452  8.535452  2.845151     0.022775    0.090974    0.181163
      2.845151  2.845151  8.535452     0.022775    0.090974    0.181163
      8.535452  2.845151  8.535452     0.022775   -0.090974   -0.181163
      2.845151  8.535452  8.535452    -0.022775    0.090974   -0.181163
      8.535452  8.535452  8.535452    -0.022775   -0.090974    0.181163
      2.845151  0.000000  0.000000    -0.011632   -0.003963    0.040832
      8.535452  0.000000  0.000000    -0.011632    0.003963   -0.040832
      2.845151  5.690301  0.000000     0.011632   -0.003963   -0.040832
      8.535452  5.690301  0.000000     0.011632    0.003963    0.040832
      2.845151  0.000000  5.690301     0.011632    0.003963    0.040832
      8.535452  0.000000  5.690301     0.011632   -0.003963   -0.040832
      2.845151  5.690301  5.690301    -0.011632    0.003963   -0.040832
      8.535452  5.690301  5.690301    -0.011632   -0.003963    0.040832
      0.000000  2.845151  0.000000     0.058001   -0.033472   -0.015376
      5.690301  2.845151  0.000000     0.058001    0.033472    0.015376
      0.000000  8.535452  0.000000    -0.058001   -0.033472    0.015376
      5.690301  8.535452  0.000000    -0.058001    0.033472   -0.015376
      0.000000  2.845151  5.690301    -0.058001    0.033472   -0.015376
      5.690301  2.845151  5.690301    -0.058001   -0.033472    0.015376
      0.000000  8.535452  5.690301     0.058001    0.033472    0.015376
      5.690301  8.535452  5.690301     0.058001   -0.033472   -0.015376
      0.000000  0.000000  2.845151    -0.021695   -0.032166    0.132936
      5.690301  0.000000  2.845151    -0.021695    0.032166   -0.132936
      0.000000  5.690301  2.845151     0.021695   -0.032166   -0.132936
      5.690301  5.690301  2.845151     0.021695    0.032166    0.132936
      0.000000  0.000000  8.535452     0.021695    0.032166    0.132936
      5.690301  0.000000  8.535452     0.021695   -0.032166   -0.132936
      0.000000  5.690301  8.535452    -0.021695    0.032166   -0.132936
      5.690301  5.690301  8.535452    -0.021695   -0.032166    0.132936

 167 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.017630   -0.072382   -0.002777
      5.690301  0.000000  0.000000     0.017630    0.072382    0.002777
      0.000000  5.690301  0.000000    -0.017630   -0.072382    0.002777
      5.690301  5.690301  0.000000    -0.017630    0.072382   -0.002777
      0.000000  0.000000  5.690301    -0.017630    0.072382   -0.002777
      5.690301  0.000000  5.690301    -0.017630   -0.072382    0.002777
      0.000000  5.690301  5.690301     0.017630    0.072382    0.002777
      5.690301  5.690301  5.690301     0.017630   -0.072382   -0.002777
      0.000000  2.845151  2.845151    -0.052237   -0.091642    0.127945
      5.690301  2.845151  2.845151    -0.052237    0.091642   -0.127945
      0.000000  8.535452  2.845151     0.052237   -0.091642   -0.127945
      5.690301  8.535452  2.845151     0.052237    0.091642    0.127945
      0.000000  2.845151  8.535452     0.052237    0.091642    0.127945
      5.690301  2.845151  8.535452     0.052237   -0.091642   -0.127945
      0.000000  8.535452  8.535452    -0.052237    0.091642   -0.127945
      5.690301  8.535452  8.535452    -0.052237   -0.091642    0.127945
      2.845151  0.000000  2.845151     0.032080    0.070754    0.101417
      8.535452  0.000000  2.845151     0.032080   -0.070754   -0.101417
      2.845151  5.690301  2.845151    -0.032080    0.070754   -0.101417
      8.535452  5.690301  2.845151    -0.032080   -0.070754    0.101417
      2.845151  0.000000  8.535452    -0.032080   -0.070754    0.101417
      8.535452  0.000000  8.535452    -0.032080    0.070754   -0.101417
      2.845151  5.690301  8.535452     0.032080   -0.070754   -0.101417
      8.535452  5.690301  8.535452     0.032080    0.070754    0.101417
      2.845151  2.845151  0.000000     0.042207   -0.077947   -0.020887
      8.535452  2.845151  0.000000     0.042207    0.077947    0.020887
      2.845151  8.535452  0.000000    -0.042207   -0.077947    0.020887
      8.535452  8.535452  0.000000    -0.042207    0.077947   -0.020887
      2.845151  2.845151  5.690301    -0.042207    0.077947   -0.020887
      8.535452  2.845151  5.690301    -0.042207   -0.077947    0.020887
      2.845151  8.535452  5.690301     0.042207    0.077947    0.020887
      8.535452  8.535452  5.690301     0.042207   -0.077947   -0.020887
      2.845151  2.845151  2.845151    -0.056444    0.076452   -0.022569
      8.535452  2.845151  2.845151    -0.056444   -0.076452    0.022569
      2.845151  8.535452  2.845151     0.056444    0.076452    0.022569
      8.535452  8.535452  2.845151     0.056444   -0.076452   -0.022569
      2.845151  2.845151  8.535452     0.056444   -0.076452   -0.022569
      8.535452  2.845151  8.535452     0.056444    0.076452    0.022569
      2.845151  8.535452  8.535452    -0.056444   -0.076452    0.022569
      8.535452  8.535452  8.535452    -0.056444    0.076452   -0.022569
      2.845151  0.000000  0.000000     0.019050   -0.084225    0.109585
      8.535452  0.000000  0.000000     0.019050    0.084225   -0.109585
      2.845151  5.690301  0.000000    -0.019050   -0.084225   -0.109585
      8.535452  5.690301  0.000000    -0.019050    0.084225    0.109585
      2.845151  0.000000  5.690301    -0.019050    0.084225    0.109585
      8.535452  0.000000  5.690301    -0.019050   -0.084225   -0.109585
      2.845151  5.690301  5.690301     0.019050    0.084225   -0.109585
      8.535452  5.690301  5.690301     0.019050   -0.084225    0.109585
      0.000000  2.845151  0.000000     0.045606   -0.078212    0.138249
      5.690301  2.845151  0.000000     0.045606    0.078212   -0.138249
      0.000000  8.535452  0.000000    -0.045606   -0.078212   -0.138249
      5.690301  8.535452  0.000000    -0.045606    0.078212    0.138249
      0.000000  2.845151  5.690301    -0.045606    0.078212    0.138249
      5.690301  2.845151  5.690301    -0.045606   -0.078212   -0.138249
      0.000000  8.535452  5.690301     0.045606    0.078212   -0.138249
      5.690301  8.535452  5.690301     0.045606   -0.078212    0.138249
      0.000000  0.000000  2.845151     0.034664   -0.099022   -0.003000
      5.690301  0.000000  2.845151     0.034664    0.099022    0.003000
      0.000000  5.690301  2.845151    -0.034664   -0.099022    0.003000
      5.690301  5.690301  2.845151    -0.034664    0.099022   -0.003000
      0.000000  0.000000  8.535452    -0.034664    0.099022   -0.003000
      5.690301  0.000000  8.535452    -0.034664   -0.099022    0.003000
      0.000000  5.690301  8.535452     0.034664    0.099022    0.003000
      5.690301  5.690301  8.535452     0.034664   -0.099022   -0.003000

 168 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.001869   -0.000192    0.193611
      5.690301  0.000000  0.000000    -0.001869    0.000192   -0.193611
      0.000000  5.690301  0.000000     0.001869   -0.000192   -0.193611
      5.690301  5.690301  0.000000     0.001869    0.000192    0.193611
      0.000000  0.000000  5.690301     0.001869    0.000192    0.193611
      5.690301  0.000000  5.690301     0.001869   -0.000192   -0.193611
      0.000000  5.690301  5.690301    -0.001869    0.000192   -0.193611
      5.690301  5.690301  5.690301    -0.001869   -0.000192    0.193611
      0.000000  2.845151  2.845151     0.008975    0.002477   -0.005428
      5.690301  2.845151  2.845151     0.008975   -0.002477    0.005428
      0.000000  8.535452  2.845151    -0.008975    0.002477    0.005428
      5.690301  8.535452  2.845151    -0.008975   -0.002477   -0.005428
      0.000000  2.845151  8.535452    -0.008975   -0.002477   -0.005428
      5.690301  2.845151  8.535452    -0.008975    0.002477    0.005428
      0.000000  8.535452  8.535452     0.008975   -0.002477    0.005428
      5.690301  8.535452  8.535452     0.008975    0.002477   -0.005428
      2.845151  0.000000  2.845151     0.001412   -0.004467   -0.006167
      8.535452  0.000000  2.845151     0.001412    0.004467    0.006167
      2.845151  5.690301  2.845151    -0.001412   -0.004467    0.006167
      8.535452  5.690301  2.845151    -0.001412    0.004467   -0.006167
      2.845151  0.000000  8.535452    -0.001412    0.004467   -0.006167
      8.535452  0.000000  8.535452    -0.001412   -0.004467    0.006167
      2.845151  5.690301  8.535452     0.001412    0.004467    0.006167
      8.535452  5.690301  8.535452     0.001412   -0.004467   -0.006167
      2.845151  2.845151  0.000000    -0.001120    0.000814   -0.141427
      8.535452  2.845151  0.000000    -0.001120   -0.000814    0.141427
      2.845151  8.535452  0.000000     0.001120    0.000814    0.141427
      8.535452  8.535452  0.000000     0.001120   -0.000814   -0.141427
      2.845151  2.845151  5.690301     0.001120   -0.000814   -0.141427
      8.535452  2.845151  5.690301     0.001120    0.000814    0.141427
      2.845151  8.535452  5.690301    -0.001120   -0.000814    0.141427
      8.535452  8.535452  5.690301    -0.001120    0.000814   -0.141427
      2.845151  2.845151  2.845151     0.009698   -0.004827   -0.152817
      8.535452  2.845151  2.845151     0.009698    0.004827    0.152817
      2.845151  8.535452  2.845151    -0.009698   -0.004827    0.152817
      8.535452  8.535452  2.845151    -0.009698    0.004827   -0.152817
      2.845151  2.845151  8.535452    -0.009698    0.004827   -0.152817
      8.535452  2.845151  8.535452    -0.009698   -0.004827    0.152817
      2.845151  8.535452  8.535452     0.009698    0.004827    0.152817
      8.535452  8.535452  8.535452     0.009698   -0.004827   -0.152817
      2.845151  0.000000  0.000000    -0.002020    0.000880   -0.006664
      8.535452  0.000000  0.000000    -0.002020   -0.000880    0.006664
      2.845151  5.690301  0.000000     0.002020    0.000880    0.006664
      8.535452  5.690301  0.000000     0.002020   -0.000880   -0.006664
      2.845151  0.000000  5.690301     0.002020   -0.000880   -0.006664
      8.535452  0.000000  5.690301     0.002020    0.000880    0.006664
      2.845151  5.690301  5.690301    -0.002020   -0.000880    0.006664
      8.535452  5.690301  5.690301    -0.002020    0.000880   -0.006664
      0.000000  2.845151  0.000000    -0.001211   -0.000207   -0.005865
      5.690301  2.845151  0.000000    -0.001211    0.000207    0.005865
      0.000000  8.535452  0.000000     0.001211   -0.000207    0.005865
      5.690301  8.535452  0.000000     0.001211    0.000207   -0.005865
      0.000000  2.845151  5.690301     0.001211    0.000207   -0.005865
      5.690301  2.845151  5.690301     0.001211   -0.000207    0.005865
      0.000000  8.535452  5.690301    -0.001211    0.000207    0.005865
      5.690301  8.535452  5.690301    -0.001211   -0.000207   -0.005865
      0.000000  0.000000  2.845151     0.001525    0.002677    0.209204
      5.690301  0.000000  2.845151     0.001525   -0.002677   -0.209204
      0.000000  5.690301  2.845151    -0.001525    0.002677   -0.209204
      5.690301  5.690301  2.845151    -0.001525   -0.002677    0.209204
      0.000000  0.000000  8.535452    -0.001525   -0.002677    0.209204
      5.690301  0.000000  8.535452    -0.001525    0.002677   -0.209204
      0.000000  5.690301  8.535452     0.001525   -0.002677   -0.209204
      5.690301  5.690301  8.535452     0.001525    0.002677    0.209204

 169 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.143305   -0.002714    0.005702
      5.690301  0.000000  0.000000     0.143305    0.002714   -0.005702
      0.000000  5.690301  0.000000    -0.143305   -0.002714   -0.005702
      5.690301  5.690301  0.000000    -0.143305    0.002714    0.005702
      0.000000  0.000000  5.690301    -0.143305    0.002714    0.005702
      5.690301  0.000000  5.690301    -0.143305   -0.002714   -0.005702
      0.000000  5.690301  5.690301     0.143305    0.002714   -0.005702
      5.690301  5.690301  5.690301     0.143305   -0.002714    0.005702
      0.000000  2.845151  2.845151    -0.177658    0.032609   -0.032112
      5.690301  2.845151  2.845151    -0.177658   -0.032609    0.032112
      0.000000  8.535452  2.845151     0.177658    0.032609    0.032112
      5.690301  8.535452  2.845151     0.177658   -0.032609   -0.032112
      0.000000  2.845151  8.535452     0.177658   -0.032609   -0.032112
      5.690301  2.845151  8.535452     0.177658    0.032609    0.032112
      0.000000  8.535452  8.535452    -0.177658   -0.032609    0.032112
      5.690301  8.535452  8.535452    -0.177658    0.032609   -0.032112
      2.845151  0.000000  2.845151    -0.022609   -0.008925   -0.012330
      8.535452  0.000000  2.845151    -0.022609    0.008925    0.012330
      2.845151  5.690301  2.845151     0.022609   -0.008925    0.012330
      8.535452  5.690301  2.845151     0.022609    0.008925   -0.012330
      2.845151  0.000000  8.535452     0.022609    0.008925   -0.012330
      8.535452  0.000000  8.535452     0.022609   -0.008925    0.012330
      2.845151  5.690301  8.535452    -0.022609    0.008925    0.012330
      8.535452  5.690301  8.535452    -0.022609   -0.008925   -0.012330
      2.845151  2.845151  0.000000    -0.051793    0.001927   -0.002540
      8.535452  2.845151  0.000000    -0.051793   -0.001927    0.002540
      2.845151  8.535452  0.000000     0.051793    0.001927    0.002540
      8.535452  8.535452  0.000000     0.051793   -0.001927   -0.002540
      2.845151  2.845151  5.690301     0.051793   -0.001927   -0.002540
      8.535452  2.845151  5.690301     0.051793    0.001927    0.002540
      2.845151  8.535452  5.690301    -0.051793   -0.001927    0.002540
      8.535452  8.535452  5.690301    -0.051793    0.001927   -0.002540
      2.845151  2.845151  2.845151    -0.191966   -0.009644   -0.002745
      8.535452  2.845151  2.845151    -0.191966    0.009644    0.002745
      2.845151  8.535452  2.845151     0.191966   -0.009644    0.002745
      8.535452  8.535452  2.845151     0.191966    0.009644   -0.002745
      2.845151  2.845151  8.535452     0.191966    0.009644   -0.002745
      8.535452  2.845151  8.535452     0.191966   -0.009644    0.002745
      2.845151  8.535452  8.535452    -0.191966    0.009644    0.002745
      8.535452  8.535452  8.535452    -0.191966   -0.009644   -0.002745
      2.845151  0.000000  0.000000     0.154846    0.002082   -0.013323
      8.535452  0.000000  0.000000     0.154846   -0.002082    0.013323
      2.845151  5.690301  0.000000    -0.154846    0.002082    0.013323
      8.535452  5.690301  0.000000    -0.154846   -0.002082   -0.013323
      2.845151  0.000000  5.690301    -0.154846   -0.002082   -0.013323
      8.535452  0.000000  5.690301    -0.154846    0.002082    0.013323
      2.845151  5.690301  5.690301     0.154846   -0.002082    0.013323
      8.535452  5.690301  5.690301     0.154846    0.002082   -0.013323
      0.000000  2.845151  0.000000    -0.055965   -0.002933   -0.034698
      5.690301  2.845151  0.000000    -0.055965    0.002933    0.034698
      0.000000  8.535452  0.000000     0.055965   -0.002933    0.034698
      5.690301  8.535452  0.000000     0.055965    0.002933   -0.034698
      0.000000  2.845151  5.690301     0.055965    0.002933   -0.034698
      5.690301  2.845151  5.690301     0.055965   -0.002933    0.034698
      0.000000  8.535452  5.690301    -0.055965    0.002933    0.034698
      5.690301  8.535452  5.690301    -0.055965   -0.002933   -0.034698
      0.000000  0.000000  2.845151    -0.024430    0.035235    0.006161
      5.690301  0.000000  2.845151    -0.024430   -0.035235   -0.006161
      0.000000  5.690301  2.845151     0.024430    0.035235   -0.006161
      5.690301  5.690301  2.845151     0.024430   -0.035235    0.006161
      0.000000  0.000000  8.535452     0.024430   -0.035235    0.006161
      5.690301  0.000000  8.535452     0.024430    0.035235   -0.006161
      0.000000  5.690301  8.535452    -0.024430   -0.035235   -0.006161
      5.690301  5.690301  8.535452    -0.024430    0.035235    0.006161

 170 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.030199    0.166886   -0.023256
      5.690301  0.000000  0.000000     0.030199   -0.166886    0.023256
      0.000000  5.690301  0.000000    -0.030199    0.166886    0.023256
      5.690301  5.690301  0.000000    -0.030199   -0.166886   -0.023256
      0.000000  0.000000  5.690301    -0.030199   -0.166886   -0.023256
      5.690301  0.000000  5.690301    -0.030199    0.166886    0.023256
      0.000000  5.690301  5.690301     0.030199   -0.166886    0.023256
      5.690301  5.690301  5.690301     0.030199    0.166886   -0.023256
      0.000000  2.845151  2.845151    -0.003146   -0.033807    0.044621
      5.690301  2.845151  2.845151    -0.003146    0.033807   -0.044621
      0.000000  8.535452  2.845151     0.003146   -0.033807   -0.044621
      5.690301  8.535452  2.845151     0.003146    0.033807    0.044621
      0.000000  2.845151  8.535452     0.003146    0.033807    0.044621
      5.690301  2.845151  8.535452     0.003146   -0.033807   -0.044621
      0.000000  8.535452  8.535452    -0.003146    0.033807   -0.044621
      5.690301  8.535452  8.535452    -0.003146   -0.033807    0.044621
      2.845151  0.000000  2.845151     0.047442   -0.129594    0.059811
      8.535452  0.000000  2.845151     0.047442    0.129594   -0.059811
      2.845151  5.690301  2.845151    -0.047442   -0.129594   -0.059811
      8.535452  5.690301  2.845151    -0.047442    0.129594    0.059811
      2.845151  0.000000  8.535452    -0.047442    0.129594    0.059811
      8.535452  0.000000  8.535452    -0.047442   -0.129594   -0.059811
      2.845151  5.690301  8.535452     0.047442    0.129594   -0.059811
      8.535452  5.690301  8.535452     0.047442   -0.129594    0.059811
      2.845151  2.845151  0.000000     0.021932   -0.031687   -0.033365
      8.535452  2.845151  0.000000     0.021932    0.031687    0.033365
      2.845151  8.535452  0.000000    -0.021932   -0.031687    0.033365
      8.535452  8.535452  0.000000    -0.021932    0.031687   -0.033365
      2.845151  2.845151  5.690301    -0.021932    0.031687   -0.033365
      8.535452  2.845151  5.690301    -0.021932   -0.031687    0.033365
      2.845151  8.535452  5.690301     0.021932    0.031687    0.033365
      8.535452  8.535452  5.690301     0.021932   -0.031687   -0.033365
      2.845151  2.845151  2.845151    -0.003399   -0.140031   -0.036052
      8.535452  2.845151  2.845151    -0.003399    0.140031    0.036052
      2.845151  8.535452  2.845151     0.003399   -0.140031    0.036052
      8.535452  8.535452  2.845151     0.003399    0.140031   -0.036052
      2.845151  2.845151  8.535452     0.003399    0.140031   -0.036052
      8.535452  2.845151  8.535452     0.003399   -0.140031    0.036052
      2.845151  8.535452  8.535452    -0.003399    0.140031    0.036052
      8.535452  8.535452  8.535452    -0.003399   -0.140031   -0.036052
      2.845151  0.000000  0.000000     0.032632   -0.034239    0.064628
      8.535452  0.000000  0.000000     0.032632    0.034239   -0.064628
      2.845151  5.690301  0.000000    -0.032632   -0.034239   -0.064628
      8.535452  5.690301  0.000000    -0.032632    0.034239    0.064628
      2.845151  0.000000  5.690301    -0.032632    0.034239    0.064628
      8.535452  0.000000  5.690301    -0.032632   -0.034239   -0.064628
      2.845151  5.690301  5.690301     0.032632    0.034239   -0.064628
      8.535452  5.690301  5.690301     0.032632   -0.034239    0.064628
      0.000000  2.845151  0.000000     0.023699    0.180326    0.048215
      5.690301  2.845151  0.000000     0.023699   -0.180326   -0.048215
      0.000000  8.535452  0.000000    -0.023699    0.180326   -0.048215
      5.690301  8.535452  0.000000    -0.023699   -0.180326    0.048215
      0.000000  2.845151  5.690301    -0.023699   -0.180326    0.048215
      5.690301  2.845151  5.690301    -0.023699    0.180326   -0.048215
      0.000000  8.535452  5.690301     0.023699   -0.180326   -0.048215
      5.690301  8.535452  5.690301     0.023699    0.180326    0.048215
      0.000000  0.000000  2.845151     0.051263   -0.036530   -0.025129
      5.690301  0.000000  2.845151     0.051263    0.036530    0.025129
      0.000000  5.690301  2.845151    -0.051263   -0.036530    0.025129
      5.690301  5.690301  2.845151    -0.051263    0.036530   -0.025129
      0.000000  0.000000  8.535452    -0.051263    0.036530   -0.025129
      5.690301  0.000000  8.535452    -0.051263   -0.036530    0.025129
      0.000000  5.690301  8.535452     0.051263    0.036530    0.025129
      5.690301  5.690301  8.535452     0.051263   -0.036530   -0.025129

 171 f  =    2.830775 THz    17.786286 2PiTHz   94.424496 cm-1    11.707150 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.026870    0.008042    0.003447
      5.690301  0.000000  0.000000    -0.026870   -0.008042   -0.003447
      0.000000  5.690301  0.000000     0.026870    0.008042   -0.003447
      5.690301  5.690301  0.000000     0.026870   -0.008042    0.003447
      0.000000  0.000000  5.690301     0.026870   -0.008042    0.003447
      5.690301  0.000000  5.690301     0.026870    0.008042   -0.003447
      0.000000  5.690301  5.690301    -0.026870   -0.008042   -0.003447
      5.690301  5.690301  5.690301    -0.026870    0.008042    0.003447
      0.000000  2.845151  2.845151    -0.027533    0.161038    0.087922
      5.690301  2.845151  2.845151    -0.027533   -0.161038   -0.087922
      0.000000  8.535452  2.845151     0.027533    0.161038   -0.087922
      5.690301  8.535452  2.845151     0.027533   -0.161038    0.087922
      0.000000  2.845151  8.535452     0.027533   -0.161038    0.087922
      5.690301  2.845151  8.535452     0.027533    0.161038   -0.087922
      0.000000  8.535452  8.535452    -0.027533   -0.161038   -0.087922
      5.690301  8.535452  8.535452    -0.027533    0.161038    0.087922
      2.845151  0.000000  2.845151    -0.014545    0.010790    0.087368
      8.535452  0.000000  2.845151    -0.014545   -0.010790   -0.087368
      2.845151  5.690301  2.845151     0.014545    0.010790   -0.087368
      8.535452  5.690301  2.845151     0.014545   -0.010790    0.087368
      2.845151  0.000000  8.535452     0.014545   -0.010790    0.087368
      8.535452  0.000000  8.535452     0.014545    0.010790   -0.087368
      2.845151  5.690301  8.535452    -0.014545   -0.010790   -0.087368
      8.535452  5.690301  8.535452    -0.014545    0.010790    0.087368
      2.845151  2.845151  0.000000     0.054676    0.107220   -0.001350
      8.535452  2.845151  0.000000     0.054676   -0.107220    0.001350
      2.845151  8.535452  0.000000    -0.054676    0.107220    0.001350
      8.535452  8.535452  0.000000    -0.054676   -0.107220   -0.001350
      2.845151  2.845151  5.690301    -0.054676   -0.107220   -0.001350
      8.535452  2.845151  5.690301    -0.054676    0.107220    0.001350
      2.845151  8.535452  5.690301     0.054676   -0.107220    0.001350
      8.535452  8.535452  5.690301     0.054676    0.107220   -0.001350
      2.845151  2.845151  2.845151    -0.029750    0.011659   -0.001458
      8.535452  2.845151  2.845151    -0.029750   -0.011659    0.001458
      2.845151  8.535452  2.845151     0.029750    0.011659    0.001458
      8.535452  8.535452  2.845151     0.029750   -0.011659   -0.001458
      2.845151  2.845151  8.535452     0.029750   -0.011659   -0.001458
      8.535452  2.845151  8.535452     0.029750    0.011659    0.001458
      2.845151  8.535452  8.535452    -0.029750   -0.011659    0.001458
      8.535452  8.535452  8.535452    -0.029750    0.011659   -0.001458
      2.845151  0.000000  0.000000    -0.029034    0.115855    0.094404
      8.535452  0.000000  0.000000    -0.029034   -0.115855   -0.094404
      2.845151  5.690301  0.000000     0.029034    0.115855   -0.094404
      8.535452  5.690301  0.000000     0.029034   -0.115855    0.094404
      2.845151  0.000000  5.690301     0.029034   -0.115855    0.094404
      8.535452  0.000000  5.690301     0.029034    0.115855   -0.094404
      2.845151  5.690301  5.690301    -0.029034   -0.115855   -0.094404
      8.535452  5.690301  5.690301    -0.029034    0.115855    0.094404
      0.000000  2.845151  0.000000     0.059079    0.008690    0.095003
      5.690301  2.845151  0.000000     0.059079   -0.008690   -0.095003
      0.000000  8.535452  0.000000    -0.059079    0.008690   -0.095003
      5.690301  8.535452  0.000000    -0.059079   -0.008690    0.095003
      0.000000  2.845151  5.690301    -0.059079   -0.008690    0.095003
      5.690301  2.845151  5.690301    -0.059079    0.008690   -0.095003
      0.000000  8.535452  5.690301     0.059079   -0.008690   -0.095003
      5.690301  8.535452  5.690301     0.059079    0.008690    0.095003
      0.000000  0.000000  2.845151    -0.015717    0.174007    0.003725
      5.690301  0.000000  2.845151    -0.015717   -0.174007   -0.003725
      0.000000  5.690301  2.845151     0.015717    0.174007   -0.003725
      5.690301  5.690301  2.845151     0.015717   -0.174007    0.003725
      0.000000  0.000000  8.535452     0.015717   -0.174007    0.003725
      5.690301  0.000000  8.535452     0.015717    0.174007   -0.003725
      0.000000  5.690301  8.535452    -0.015717   -0.174007   -0.003725
      5.690301  5.690301  8.535452    -0.015717    0.174007    0.003725

 172 f  =    2.480846 THz    15.587615 2PiTHz   82.752114 cm-1    10.259958 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.097567    0.014400    0.060741
      5.690301  0.000000  0.000000     0.097567    0.014400    0.060741
      0.000000  5.690301  0.000000     0.097567    0.014400    0.060741
      5.690301  5.690301  0.000000     0.097567    0.014400    0.060741
      0.000000  0.000000  5.690301     0.097567    0.014400    0.060741
      5.690301  0.000000  5.690301     0.097567    0.014400    0.060741
      0.000000  5.690301  5.690301     0.097567    0.014400    0.060741
      5.690301  5.690301  5.690301     0.097567    0.014400    0.060741
      0.000000  2.845151  2.845151    -0.097567    0.009625   -0.070994
      5.690301  2.845151  2.845151    -0.097567    0.009625   -0.070994
      0.000000  8.535452  2.845151    -0.097567    0.009625   -0.070994
      5.690301  8.535452  2.845151    -0.097567    0.009625   -0.070994
      0.000000  2.845151  8.535452    -0.097567    0.009625   -0.070994
      5.690301  2.845151  8.535452    -0.097567    0.009625   -0.070994
      0.000000  8.535452  8.535452    -0.097567    0.009625   -0.070994
      5.690301  8.535452  8.535452    -0.097567    0.009625   -0.070994
      2.845151  0.000000  2.845151     0.102797   -0.014400    0.070994
      8.535452  0.000000  2.845151     0.102797   -0.014400    0.070994
      2.845151  5.690301  2.845151     0.102797   -0.014400    0.070994
      8.535452  5.690301  2.845151     0.102797   -0.014400    0.070994
      2.845151  0.000000  8.535452     0.102797   -0.014400    0.070994
      8.535452  0.000000  8.535452     0.102797   -0.014400    0.070994
      2.845151  5.690301  8.535452     0.102797   -0.014400    0.070994
      8.535452  5.690301  8.535452     0.102797   -0.014400    0.070994
      2.845151  2.845151  0.000000    -0.102797   -0.009625   -0.060741
      8.535452  2.845151  0.000000    -0.102797   -0.009625   -0.060741
      2.845151  8.535452  0.000000    -0.102797   -0.009625   -0.060741
      8.535452  8.535452  0.000000    -0.102797   -0.009625   -0.060741
      2.845151  2.845151  5.690301    -0.102797   -0.009625   -0.060741
      8.535452  2.845151  5.690301    -0.102797   -0.009625   -0.060741
      2.845151  8.535452  5.690301    -0.102797   -0.009625   -0.060741
      8.535452  8.535452  5.690301    -0.102797   -0.009625   -0.060741
      2.845151  2.845151  2.845151    -0.104473   -0.015419   -0.065041
      8.535452  2.845151  2.845151    -0.104473   -0.015419   -0.065041
      2.845151  8.535452  2.845151    -0.104473   -0.015419   -0.065041
      8.535452  8.535452  2.845151    -0.104473   -0.015419   -0.065041
      2.845151  2.845151  8.535452    -0.104473   -0.015419   -0.065041
      8.535452  2.845151  8.535452    -0.104473   -0.015419   -0.065041
      2.845151  8.535452  8.535452    -0.104473   -0.015419   -0.065041
      8.535452  8.535452  8.535452    -0.104473   -0.015419   -0.065041
      2.845151  0.000000  0.000000     0.104473   -0.010306    0.076019
      8.535452  0.000000  0.000000     0.104473   -0.010306    0.076019
      2.845151  5.690301  0.000000     0.104473   -0.010306    0.076019
      8.535452  5.690301  0.000000     0.104473   -0.010306    0.076019
      2.845151  0.000000  5.690301     0.104473   -0.010306    0.076019
      8.535452  0.000000  5.690301     0.104473   -0.010306    0.076019
      2.845151  5.690301  5.690301     0.104473   -0.010306    0.076019
      8.535452  5.690301  5.690301     0.104473   -0.010306    0.076019
      0.000000  2.845151  0.000000    -0.110073    0.015419   -0.076019
      5.690301  2.845151  0.000000    -0.110073    0.015419   -0.076019
      0.000000  8.535452  0.000000    -0.110073    0.015419   -0.076019
      5.690301  8.535452  0.000000    -0.110073    0.015419   -0.076019
      0.000000  2.845151  5.690301    -0.110073    0.015419   -0.076019
      5.690301  2.845151  5.690301    -0.110073    0.015419   -0.076019
      0.000000  8.535452  5.690301    -0.110073    0.015419   -0.076019
      5.690301  8.535452  5.690301    -0.110073    0.015419   -0.076019
      0.000000  0.000000  2.845151     0.110073    0.010306    0.065041
      5.690301  0.000000  2.845151     0.110073    0.010306    0.065041
      0.000000  5.690301  2.845151     0.110073    0.010306    0.065041
      5.690301  5.690301  2.845151     0.110073    0.010306    0.065041
      0.000000  0.000000  8.535452     0.110073    0.010306    0.065041
      5.690301  0.000000  8.535452     0.110073    0.010306    0.065041
      0.000000  5.690301  8.535452     0.110073    0.010306    0.065041
      5.690301  5.690301  8.535452     0.110073    0.010306    0.065041

 173 f  =    2.480846 THz    15.587615 2PiTHz   82.752114 cm-1    10.259958 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.018196   -0.071872   -0.103737
      5.690301  0.000000  0.000000    -0.018196   -0.071872   -0.103737
      0.000000  5.690301  0.000000    -0.018196   -0.071872   -0.103737
      5.690301  5.690301  0.000000    -0.018196   -0.071872   -0.103737
      0.000000  0.000000  5.690301    -0.018196   -0.071872   -0.103737
      5.690301  0.000000  5.690301    -0.018196   -0.071872   -0.103737
      0.000000  5.690301  5.690301    -0.018196   -0.071872   -0.103737
      5.690301  5.690301  5.690301    -0.018196   -0.071872   -0.103737
      0.000000  2.845151  2.845151     0.018196   -0.041833   -0.103230
      5.690301  2.845151  2.845151     0.018196   -0.041833   -0.103230
      0.000000  8.535452  2.845151     0.018196   -0.041833   -0.103230
      5.690301  8.535452  2.845151     0.018196   -0.041833   -0.103230
      0.000000  2.845151  8.535452     0.018196   -0.041833   -0.103230
      5.690301  2.845151  8.535452     0.018196   -0.041833   -0.103230
      0.000000  8.535452  8.535452     0.018196   -0.041833   -0.103230
      5.690301  8.535452  8.535452     0.018196   -0.041833   -0.103230
      2.845151  0.000000  2.845151     0.021258    0.071872    0.103230
      8.535452  0.000000  2.845151     0.021258    0.071872    0.103230
      2.845151  5.690301  2.845151     0.021258    0.071872    0.103230
      8.535452  5.690301  2.845151     0.021258    0.071872    0.103230
      2.845151  0.000000  8.535452     0.021258    0.071872    0.103230
      8.535452  0.000000  8.535452     0.021258    0.071872    0.103230
      2.845151  5.690301  8.535452     0.021258    0.071872    0.103230
      8.535452  5.690301  8.535452     0.021258    0.071872    0.103230
      2.845151  2.845151  0.000000    -0.021258    0.041833    0.103737
      8.535452  2.845151  0.000000    -0.021258    0.041833    0.103737
      2.845151  8.535452  0.000000    -0.021258    0.041833    0.103737
      8.535452  8.535452  0.000000    -0.021258    0.041833    0.103737
      2.845151  2.845151  5.690301    -0.021258    0.041833    0.103737
      8.535452  2.845151  5.690301    -0.021258    0.041833    0.103737
      2.845151  8.535452  5.690301    -0.021258    0.041833    0.103737
      8.535452  8.535452  5.690301    -0.021258    0.041833    0.103737
      2.845151  2.845151  2.845151     0.019484    0.076959    0.111079
      8.535452  2.845151  2.845151     0.019484    0.076959    0.111079
      2.845151  8.535452  2.845151     0.019484    0.076959    0.111079
      8.535452  8.535452  2.845151     0.019484    0.076959    0.111079
      2.845151  2.845151  8.535452     0.019484    0.076959    0.111079
      8.535452  2.845151  8.535452     0.019484    0.076959    0.111079
      2.845151  8.535452  8.535452     0.019484    0.076959    0.111079
      8.535452  8.535452  8.535452     0.019484    0.076959    0.111079
      2.845151  0.000000  0.000000    -0.019484    0.044794    0.110536
      8.535452  0.000000  0.000000    -0.019484    0.044794    0.110536
      2.845151  5.690301  0.000000    -0.019484    0.044794    0.110536
      8.535452  5.690301  0.000000    -0.019484    0.044794    0.110536
      2.845151  0.000000  5.690301    -0.019484    0.044794    0.110536
      8.535452  0.000000  5.690301    -0.019484    0.044794    0.110536
      2.845151  5.690301  5.690301    -0.019484    0.044794    0.110536
      8.535452  5.690301  5.690301    -0.019484    0.044794    0.110536
      0.000000  2.845151  0.000000    -0.022763   -0.076959   -0.110536
      5.690301  2.845151  0.000000    -0.022763   -0.076959   -0.110536
      0.000000  8.535452  0.000000    -0.022763   -0.076959   -0.110536
      5.690301  8.535452  0.000000    -0.022763   -0.076959   -0.110536
      0.000000  2.845151  5.690301    -0.022763   -0.076959   -0.110536
      5.690301  2.845151  5.690301    -0.022763   -0.076959   -0.110536
      0.000000  8.535452  5.690301    -0.022763   -0.076959   -0.110536
      5.690301  8.535452  5.690301    -0.022763   -0.076959   -0.110536
      0.000000  0.000000  2.845151     0.022763   -0.044794   -0.111079
      5.690301  0.000000  2.845151     0.022763   -0.044794   -0.111079
      0.000000  5.690301  2.845151     0.022763   -0.044794   -0.111079
      5.690301  5.690301  2.845151     0.022763   -0.044794   -0.111079
      0.000000  0.000000  8.535452     0.022763   -0.044794   -0.111079
      5.690301  0.000000  8.535452     0.022763   -0.044794   -0.111079
      0.000000  5.690301  8.535452     0.022763   -0.044794   -0.111079
      5.690301  5.690301  8.535452     0.022763   -0.044794   -0.111079

 174 f  =    2.480846 THz    15.587615 2PiTHz   82.752114 cm-1    10.259958 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.064092   -0.125763    0.072071
      5.690301  0.000000  0.000000    -0.064092   -0.125763    0.072071
      0.000000  5.690301  0.000000    -0.064092   -0.125763    0.072071
      5.690301  5.690301  0.000000    -0.064092   -0.125763    0.072071
      0.000000  0.000000  5.690301    -0.064092   -0.125763    0.072071
      5.690301  0.000000  5.690301    -0.064092   -0.125763    0.072071
      0.000000  5.690301  5.690301    -0.064092   -0.125763    0.072071
      5.690301  5.690301  5.690301    -0.064092   -0.125763    0.072071
      0.000000  2.845151  2.845151     0.064092    0.033958    0.022618
      5.690301  2.845151  2.845151     0.064092    0.033958    0.022618
      0.000000  8.535452  2.845151     0.064092    0.033958    0.022618
      5.690301  8.535452  2.845151     0.064092    0.033958    0.022618
      0.000000  2.845151  8.535452     0.064092    0.033958    0.022618
      5.690301  2.845151  8.535452     0.064092    0.033958    0.022618
      0.000000  8.535452  8.535452     0.064092    0.033958    0.022618
      5.690301  8.535452  8.535452     0.064092    0.033958    0.022618
      2.845151  0.000000  2.845151     0.048302    0.125763   -0.022618
      8.535452  0.000000  2.845151     0.048302    0.125763   -0.022618
      2.845151  5.690301  2.845151     0.048302    0.125763   -0.022618
      8.535452  5.690301  2.845151     0.048302    0.125763   -0.022618
      2.845151  0.000000  8.535452     0.048302    0.125763   -0.022618
      8.535452  0.000000  8.535452     0.048302    0.125763   -0.022618
      2.845151  5.690301  8.535452     0.048302    0.125763   -0.022618
      8.535452  5.690301  8.535452     0.048302    0.125763   -0.022618
      2.845151  2.845151  0.000000    -0.048302   -0.033958   -0.072071
      8.535452  2.845151  0.000000    -0.048302   -0.033958   -0.072071
      2.845151  8.535452  0.000000    -0.048302   -0.033958   -0.072071
      8.535452  8.535452  0.000000    -0.048302   -0.033958   -0.072071
      2.845151  2.845151  5.690301    -0.048302   -0.033958   -0.072071
      8.535452  2.845151  5.690301    -0.048302   -0.033958   -0.072071
      2.845151  8.535452  5.690301    -0.048302   -0.033958   -0.072071
      8.535452  8.535452  5.690301    -0.048302   -0.033958   -0.072071
      2.845151  2.845151  2.845151     0.068628    0.134665   -0.077173
      8.535452  2.845151  2.845151     0.068628    0.134665   -0.077173
      2.845151  8.535452  2.845151     0.068628    0.134665   -0.077173
      8.535452  8.535452  2.845151     0.068628    0.134665   -0.077173
      2.845151  2.845151  8.535452     0.068628    0.134665   -0.077173
      8.535452  2.845151  8.535452     0.068628    0.134665   -0.077173
      2.845151  8.535452  8.535452     0.068628    0.134665   -0.077173
      8.535452  8.535452  8.535452     0.068628    0.134665   -0.077173
      2.845151  0.000000  0.000000    -0.068628   -0.036361   -0.024218
      8.535452  0.000000  0.000000    -0.068628   -0.036361   -0.024218
      2.845151  5.690301  0.000000    -0.068628   -0.036361   -0.024218
      8.535452  5.690301  0.000000    -0.068628   -0.036361   -0.024218
      2.845151  0.000000  5.690301    -0.068628   -0.036361   -0.024218
      8.535452  0.000000  5.690301    -0.068628   -0.036361   -0.024218
      2.845151  5.690301  5.690301    -0.068628   -0.036361   -0.024218
      8.535452  5.690301  5.690301    -0.068628   -0.036361   -0.024218
      0.000000  2.845151  0.000000    -0.051721   -0.134665    0.024218
      5.690301  2.845151  0.000000    -0.051721   -0.134665    0.024218
      0.000000  8.535452  0.000000    -0.051721   -0.134665    0.024218
      5.690301  8.535452  0.000000    -0.051721   -0.134665    0.024218
      0.000000  2.845151  5.690301    -0.051721   -0.134665    0.024218
      5.690301  2.845151  5.690301    -0.051721   -0.134665    0.024218
      0.000000  8.535452  5.690301    -0.051721   -0.134665    0.024218
      5.690301  8.535452  5.690301    -0.051721   -0.134665    0.024218
      0.000000  0.000000  2.845151     0.051721    0.036361    0.077173
      5.690301  0.000000  2.845151     0.051721    0.036361    0.077173
      0.000000  5.690301  2.845151     0.051721    0.036361    0.077173
      5.690301  5.690301  2.845151     0.051721    0.036361    0.077173
      0.000000  0.000000  8.535452     0.051721    0.036361    0.077173
      5.690301  0.000000  8.535452     0.051721    0.036361    0.077173
      0.000000  5.690301  8.535452     0.051721    0.036361    0.077173
      5.690301  5.690301  8.535452     0.051721    0.036361    0.077173

 175 f  =    2.480846 THz    15.587615 2PiTHz   82.752114 cm-1    10.259958 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.011184    0.023238   -0.081781
      5.690301  0.000000  0.000000    -0.011184    0.023238   -0.081781
      0.000000  5.690301  0.000000    -0.011184    0.023238   -0.081781
      5.690301  5.690301  0.000000    -0.011184    0.023238   -0.081781
      0.000000  0.000000  5.690301    -0.011184    0.023238   -0.081781
      5.690301  0.000000  5.690301    -0.011184    0.023238   -0.081781
      0.000000  5.690301  5.690301    -0.011184    0.023238   -0.081781
      5.690301  5.690301  5.690301    -0.011184    0.023238   -0.081781
      0.000000  2.845151  2.845151     0.011184    0.130504    0.028026
      5.690301  2.845151  2.845151     0.011184    0.130504    0.028026
      0.000000  8.535452  2.845151     0.011184    0.130504    0.028026
      5.690301  8.535452  2.845151     0.011184    0.130504    0.028026
      0.000000  2.845151  8.535452     0.011184    0.130504    0.028026
      5.690301  2.845151  8.535452     0.011184    0.130504    0.028026
      0.000000  8.535452  8.535452     0.011184    0.130504    0.028026
      5.690301  8.535452  8.535452     0.011184    0.130504    0.028026
      2.845151  0.000000  2.845151     0.062819   -0.023238   -0.028026
      8.535452  0.000000  2.845151     0.062819   -0.023238   -0.028026
      2.845151  5.690301  2.845151     0.062819   -0.023238   -0.028026
      8.535452  5.690301  2.845151     0.062819   -0.023238   -0.028026
      2.845151  0.000000  8.535452     0.062819   -0.023238   -0.028026
      8.535452  0.000000  8.535452     0.062819   -0.023238   -0.028026
      2.845151  5.690301  8.535452     0.062819   -0.023238   -0.028026
      8.535452  5.690301  8.535452     0.062819   -0.023238   -0.028026
      2.845151  2.845151  0.000000    -0.062819   -0.130504    0.081781
      8.535452  2.845151  0.000000    -0.062819   -0.130504    0.081781
      2.845151  8.535452  0.000000    -0.062819   -0.130504    0.081781
      8.535452  8.535452  0.000000    -0.062819   -0.130504    0.081781
      2.845151  2.845151  5.690301    -0.062819   -0.130504    0.081781
      8.535452  2.845151  5.690301    -0.062819   -0.130504    0.081781
      2.845151  8.535452  5.690301    -0.062819   -0.130504    0.081781
      8.535452  8.535452  5.690301    -0.062819   -0.130504    0.081781
      2.845151  2.845151  2.845151     0.011976   -0.024883    0.087570
      8.535452  2.845151  2.845151     0.011976   -0.024883    0.087570
      2.845151  8.535452  2.845151     0.011976   -0.024883    0.087570
      8.535452  8.535452  2.845151     0.011976   -0.024883    0.087570
      2.845151  2.845151  8.535452     0.011976   -0.024883    0.087570
      8.535452  2.845151  8.535452     0.011976   -0.024883    0.087570
      2.845151  8.535452  8.535452     0.011976   -0.024883    0.087570
      8.535452  8.535452  8.535452     0.011976   -0.024883    0.087570
      2.845151  0.000000  0.000000    -0.011976   -0.139741   -0.030010
      8.535452  0.000000  0.000000    -0.011976   -0.139741   -0.030010
      2.845151  5.690301  0.000000    -0.011976   -0.139741   -0.030010
      8.535452  5.690301  0.000000    -0.011976   -0.139741   -0.030010
      2.845151  0.000000  5.690301    -0.011976   -0.139741   -0.030010
      8.535452  0.000000  5.690301    -0.011976   -0.139741   -0.030010
      2.845151  5.690301  5.690301    -0.011976   -0.139741   -0.030010
      8.535452  5.690301  5.690301    -0.011976   -0.139741   -0.030010
      0.000000  2.845151  0.000000    -0.067266    0.024883    0.030010
      5.690301  2.845151  0.000000    -0.067266    0.024883    0.030010
      0.000000  8.535452  0.000000    -0.067266    0.024883    0.030010
      5.690301  8.535452  0.000000    -0.067266    0.024883    0.030010
      0.000000  2.845151  5.690301    -0.067266    0.024883    0.030010
      5.690301  2.845151  5.690301    -0.067266    0.024883    0.030010
      0.000000  8.535452  5.690301    -0.067266    0.024883    0.030010
      5.690301  8.535452  5.690301    -0.067266    0.024883    0.030010
      0.000000  0.000000  2.845151     0.067266    0.139741   -0.087570
      5.690301  0.000000  2.845151     0.067266    0.139741   -0.087570
      0.000000  5.690301  2.845151     0.067266    0.139741   -0.087570
      5.690301  5.690301  2.845151     0.067266    0.139741   -0.087570
      0.000000  0.000000  8.535452     0.067266    0.139741   -0.087570
      5.690301  0.000000  8.535452     0.067266    0.139741   -0.087570
      0.000000  5.690301  8.535452     0.067266    0.139741   -0.087570
      5.690301  5.690301  8.535452     0.067266    0.139741   -0.087570

 176 f  =    2.480846 THz    15.587615 2PiTHz   82.752114 cm-1    10.259958 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.078300    0.050228    0.052753
      5.690301  0.000000  0.000000    -0.078300    0.050228    0.052753
      0.000000  5.690301  0.000000    -0.078300    0.050228    0.052753
      5.690301  5.690301  0.000000    -0.078300    0.050228    0.052753
      0.000000  0.000000  5.690301    -0.078300    0.050228    0.052753
      5.690301  0.000000  5.690301    -0.078300    0.050228    0.052753
      0.000000  5.690301  5.690301    -0.078300    0.050228    0.052753
      5.690301  5.690301  5.690301    -0.078300    0.050228    0.052753
      0.000000  2.845151  2.845151     0.078300    0.062270   -0.108629
      5.690301  2.845151  2.845151     0.078300    0.062270   -0.108629
      0.000000  8.535452  2.845151     0.078300    0.062270   -0.108629
      5.690301  8.535452  2.845151     0.078300    0.062270   -0.108629
      0.000000  2.845151  8.535452     0.078300    0.062270   -0.108629
      5.690301  2.845151  8.535452     0.078300    0.062270   -0.108629
      0.000000  8.535452  8.535452     0.078300    0.062270   -0.108629
      5.690301  8.535452  8.535452     0.078300    0.062270   -0.108629
      2.845151  0.000000  2.845151    -0.044743   -0.050228    0.108629
      8.535452  0.000000  2.845151    -0.044743   -0.050228    0.108629
      2.845151  5.690301  2.845151    -0.044743   -0.050228    0.108629
      8.535452  5.690301  2.845151    -0.044743   -0.050228    0.108629
      2.845151  0.000000  8.535452    -0.044743   -0.050228    0.108629
      8.535452  0.000000  8.535452    -0.044743   -0.050228    0.108629
      2.845151  5.690301  8.535452    -0.044743   -0.050228    0.108629
      8.535452  5.690301  8.535452    -0.044743   -0.050228    0.108629
      2.845151  2.845151  0.000000     0.044743   -0.062270   -0.052753
      8.535452  2.845151  0.000000     0.044743   -0.062270   -0.052753
      2.845151  8.535452  0.000000     0.044743   -0.062270   -0.052753
      8.535452  8.535452  0.000000     0.044743   -0.062270   -0.052753
      2.845151  2.845151  5.690301     0.044743   -0.062270   -0.052753
      8.535452  2.845151  5.690301     0.044743   -0.062270   -0.052753
      2.845151  8.535452  5.690301     0.044743   -0.062270   -0.052753
      8.535452  8.535452  5.690301     0.044743   -0.062270   -0.052753
      2.845151  2.845151  2.845151     0.083842   -0.053783   -0.056487
      8.535452  2.845151  2.845151     0.083842   -0.053783   -0.056487
      2.845151  8.535452  2.845151     0.083842   -0.053783   -0.056487
      8.535452  8.535452  2.845151     0.083842   -0.053783   -0.056487
      2.845151  2.845151  8.535452     0.083842   -0.053783   -0.056487
      8.535452  2.845151  8.535452     0.083842   -0.053783   -0.056487
      2.845151  8.535452  8.535452     0.083842   -0.053783   -0.056487
      8.535452  8.535452  8.535452     0.083842   -0.053783   -0.056487
      2.845151  0.000000  0.000000    -0.083842   -0.066677    0.116318
      8.535452  0.000000  0.000000    -0.083842   -0.066677    0.116318
      2.845151  5.690301  0.000000    -0.083842   -0.066677    0.116318
      8.535452  5.690301  0.000000    -0.083842   -0.066677    0.116318
      2.845151  0.000000  5.690301    -0.083842   -0.066677    0.116318
      8.535452  0.000000  5.690301    -0.083842   -0.066677    0.116318
      2.845151  5.690301  5.690301    -0.083842   -0.066677    0.116318
      8.535452  5.690301  5.690301    -0.083842   -0.066677    0.116318
      0.000000  2.845151  0.000000     0.047910    0.053783   -0.116318
      5.690301  2.845151  0.000000     0.047910    0.053783   -0.116318
      0.000000  8.535452  0.000000     0.047910    0.053783   -0.116318
      5.690301  8.535452  0.000000     0.047910    0.053783   -0.116318
      0.000000  2.845151  5.690301     0.047910    0.053783   -0.116318
      5.690301  2.845151  5.690301     0.047910    0.053783   -0.116318
      0.000000  8.535452  5.690301     0.047910    0.053783   -0.116318
      5.690301  8.535452  5.690301     0.047910    0.053783   -0.116318
      0.000000  0.000000  2.845151    -0.047910    0.066677    0.056487
      5.690301  0.000000  2.845151    -0.047910    0.066677    0.056487
      0.000000  5.690301  2.845151    -0.047910    0.066677    0.056487
      5.690301  5.690301  2.845151    -0.047910    0.066677    0.056487
      0.000000  0.000000  8.535452    -0.047910    0.066677    0.056487
      5.690301  0.000000  8.535452    -0.047910    0.066677    0.056487
      0.000000  5.690301  8.535452    -0.047910    0.066677    0.056487
      5.690301  5.690301  8.535452    -0.047910    0.066677    0.056487

 177 f  =    2.480846 THz    15.587615 2PiTHz   82.752114 cm-1    10.259958 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.094351    0.069743   -0.000224
      5.690301  0.000000  0.000000    -0.094351    0.069743   -0.000224
      0.000000  5.690301  0.000000    -0.094351    0.069743   -0.000224
      5.690301  5.690301  0.000000    -0.094351    0.069743   -0.000224
      0.000000  0.000000  5.690301    -0.094351    0.069743   -0.000224
      5.690301  0.000000  5.690301    -0.094351    0.069743   -0.000224
      0.000000  5.690301  5.690301    -0.094351    0.069743   -0.000224
      5.690301  5.690301  5.690301    -0.094351    0.069743   -0.000224
      0.000000  2.845151  2.845151     0.094351   -0.072192    0.017957
      5.690301  2.845151  2.845151     0.094351   -0.072192    0.017957
      0.000000  8.535452  2.845151     0.094351   -0.072192    0.017957
      5.690301  8.535452  2.845151     0.094351   -0.072192    0.017957
      0.000000  2.845151  8.535452     0.094351   -0.072192    0.017957
      5.690301  2.845151  8.535452     0.094351   -0.072192    0.017957
      0.000000  8.535452  8.535452     0.094351   -0.072192    0.017957
      5.690301  8.535452  8.535452     0.094351   -0.072192    0.017957
      2.845151  0.000000  2.845151     0.099074   -0.069743   -0.017957
      8.535452  0.000000  2.845151     0.099074   -0.069743   -0.017957
      2.845151  5.690301  2.845151     0.099074   -0.069743   -0.017957
      8.535452  5.690301  2.845151     0.099074   -0.069743   -0.017957
      2.845151  0.000000  8.535452     0.099074   -0.069743   -0.017957
      8.535452  0.000000  8.535452     0.099074   -0.069743   -0.017957
      2.845151  5.690301  8.535452     0.099074   -0.069743   -0.017957
      8.535452  5.690301  8.535452     0.099074   -0.069743   -0.017957
      2.845151  2.845151  0.000000    -0.099074    0.072192    0.000224
      8.535452  2.845151  0.000000    -0.099074    0.072192    0.000224
      2.845151  8.535452  0.000000    -0.099074    0.072192    0.000224
      8.535452  8.535452  0.000000    -0.099074    0.072192    0.000224
      2.845151  2.845151  5.690301    -0.099074    0.072192    0.000224
      8.535452  2.845151  5.690301    -0.099074    0.072192    0.000224
      2.845151  8.535452  5.690301    -0.099074    0.072192    0.000224
      8.535452  8.535452  5.690301    -0.099074    0.072192    0.000224
      2.845151  2.845151  2.845151     0.101030   -0.074680    0.000240
      8.535452  2.845151  2.845151     0.101030   -0.074680    0.000240
      2.845151  8.535452  2.845151     0.101030   -0.074680    0.000240
      8.535452  8.535452  2.845151     0.101030   -0.074680    0.000240
      2.845151  2.845151  8.535452     0.101030   -0.074680    0.000240
      8.535452  2.845151  8.535452     0.101030   -0.074680    0.000240
      2.845151  8.535452  8.535452     0.101030   -0.074680    0.000240
      8.535452  8.535452  8.535452     0.101030   -0.074680    0.000240
      2.845151  0.000000  0.000000    -0.101030    0.077302   -0.019228
      8.535452  0.000000  0.000000    -0.101030    0.077302   -0.019228
      2.845151  5.690301  0.000000    -0.101030    0.077302   -0.019228
      8.535452  5.690301  0.000000    -0.101030    0.077302   -0.019228
      2.845151  0.000000  5.690301    -0.101030    0.077302   -0.019228
      8.535452  0.000000  5.690301    -0.101030    0.077302   -0.019228
      2.845151  5.690301  5.690301    -0.101030    0.077302   -0.019228
      8.535452  5.690301  5.690301    -0.101030    0.077302   -0.019228
      0.000000  2.845151  0.000000    -0.106087    0.074680    0.019228
      5.690301  2.845151  0.000000    -0.106087    0.074680    0.019228
      0.000000  8.535452  0.000000    -0.106087    0.074680    0.019228
      5.690301  8.535452  0.000000    -0.106087    0.074680    0.019228
      0.000000  2.845151  5.690301    -0.106087    0.074680    0.019228
      5.690301  2.845151  5.690301    -0.106087    0.074680    0.019228
      0.000000  8.535452  5.690301    -0.106087    0.074680    0.019228
      5.690301  8.535452  5.690301    -0.106087    0.074680    0.019228
      0.000000  0.000000  2.845151     0.106087   -0.077302   -0.000240
      5.690301  0.000000  2.845151     0.106087   -0.077302   -0.000240
      0.000000  5.690301  2.845151     0.106087   -0.077302   -0.000240
      5.690301  5.690301  2.845151     0.106087   -0.077302   -0.000240
      0.000000  0.000000  8.535452     0.106087   -0.077302   -0.000240
      5.690301  0.000000  8.535452     0.106087   -0.077302   -0.000240
      0.000000  5.690301  8.535452     0.106087   -0.077302   -0.000240
      5.690301  5.690301  8.535452     0.106087   -0.077302   -0.000240

 178 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.066541    0.024937   -0.003496
      5.690301  0.000000  0.000000     0.066541    0.019045   -0.001063
      0.000000  5.690301  0.000000     0.003122    0.024937    0.001063
      5.690301  5.690301  0.000000     0.003122    0.019045    0.003496
      0.000000  0.000000  5.690301    -0.003122   -0.019045   -0.003496
      5.690301  0.000000  5.690301    -0.003122   -0.024937   -0.001063
      0.000000  5.690301  5.690301    -0.066541   -0.019045    0.001063
      5.690301  5.690301  5.690301    -0.066541   -0.024937    0.003496
      0.000000  2.845151  2.845151     0.138262    0.097004    0.014927
      5.690301  2.845151  2.845151     0.138262    0.091112    0.017360
      0.000000  8.535452  2.845151     0.088274    0.097004   -0.017360
      5.690301  8.535452  2.845151     0.088274    0.091112   -0.014927
      0.000000  2.845151  8.535452    -0.088274   -0.091112    0.014927
      5.690301  2.845151  8.535452    -0.088274   -0.097004    0.017360
      0.000000  8.535452  8.535452    -0.138262   -0.091112   -0.017360
      5.690301  8.535452  8.535452    -0.138262   -0.097004   -0.014927
      2.845151  0.000000  2.845151     0.144978    0.118901   -0.032843
      8.535452  0.000000  2.845151     0.144978    0.069216    0.028285
      2.845151  5.690301  2.845151     0.081559    0.118901   -0.028285
      8.535452  5.690301  2.845151     0.081559    0.069216    0.032843
      2.845151  0.000000  8.535452    -0.081559   -0.069216   -0.032843
      8.535452  0.000000  8.535452    -0.081559   -0.118901    0.028285
      2.845151  5.690301  8.535452    -0.144978   -0.069216   -0.028285
      8.535452  5.690301  8.535452    -0.144978   -0.118901    0.032843
      2.845151  2.845151  0.000000     0.059825    0.046833   -0.014421
      8.535452  2.845151  0.000000     0.059825   -0.002851    0.046707
      2.845151  8.535452  0.000000     0.009837    0.046833   -0.046707
      8.535452  8.535452  0.000000     0.009837   -0.002851    0.014421
      2.845151  2.845151  5.690301    -0.009837    0.002851   -0.014421
      8.535452  2.845151  5.690301    -0.009837   -0.046833    0.046707
      2.845151  8.535452  5.690301    -0.059825    0.002851   -0.046707
      8.535452  8.535452  5.690301    -0.059825   -0.046833    0.014421
      2.845151  2.845151  2.845151     0.159416    0.137092   -0.016627
      8.535452  2.845151  2.845151     0.159416    0.079806    0.053853
      2.845151  8.535452  2.845151     0.101780    0.137092   -0.053853
      8.535452  8.535452  2.845151     0.101780    0.079806    0.016627
      2.845151  2.845151  8.535452    -0.101780   -0.079806   -0.016627
      8.535452  2.845151  8.535452    -0.101780   -0.137092    0.053853
      2.845151  8.535452  8.535452    -0.159416   -0.079806   -0.053853
      8.535452  8.535452  8.535452    -0.159416   -0.137092    0.016627
      2.845151  0.000000  0.000000     0.076721    0.053999   -0.037868
      8.535452  0.000000  0.000000     0.076721   -0.003288    0.032612
      2.845151  5.690301  0.000000     0.003600    0.053999   -0.032612
      8.535452  5.690301  0.000000     0.003600   -0.003288    0.037868
      2.845151  0.000000  5.690301    -0.003600    0.003288   -0.037868
      8.535452  0.000000  5.690301    -0.003600   -0.053999    0.032612
      2.845151  5.690301  5.690301    -0.076721    0.003288   -0.032612
      8.535452  5.690301  5.690301    -0.076721   -0.053999    0.037868
      0.000000  2.845151  0.000000     0.068979    0.028752    0.017211
      5.690301  2.845151  0.000000     0.068979    0.021959    0.020016
      0.000000  8.535452  0.000000     0.011342    0.028752   -0.020016
      5.690301  8.535452  0.000000     0.011342    0.021959   -0.017211
      0.000000  2.845151  5.690301    -0.011342   -0.021959    0.017211
      5.690301  2.845151  5.690301    -0.011342   -0.028752    0.020016
      0.000000  8.535452  5.690301    -0.068979   -0.021959   -0.020016
      5.690301  8.535452  5.690301    -0.068979   -0.028752   -0.017211
      0.000000  0.000000  2.845151     0.167159    0.111845   -0.004031
      5.690301  0.000000  2.845151     0.167159    0.105052   -0.001226
      0.000000  5.690301  2.845151     0.094037    0.111845    0.001226
      5.690301  5.690301  2.845151     0.094037    0.105052    0.004031
      0.000000  0.000000  8.535452    -0.094037   -0.105052   -0.004031
      5.690301  0.000000  8.535452    -0.094037   -0.111845   -0.001226
      0.000000  5.690301  8.535452    -0.167159   -0.105052    0.001226
      5.690301  5.690301  8.535452    -0.167159   -0.111845    0.004031

 179 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.003522    0.009405    0.000915
      5.690301  0.000000  0.000000     0.003522    0.095136   -0.060552
      0.000000  5.690301  0.000000    -0.032007    0.009405    0.060552
      5.690301  5.690301  0.000000    -0.032007    0.095136   -0.000915
      0.000000  0.000000  5.690301     0.032007   -0.095136    0.000915
      5.690301  0.000000  5.690301     0.032007   -0.009405   -0.060552
      0.000000  5.690301  5.690301    -0.003522   -0.095136    0.060552
      5.690301  5.690301  5.690301    -0.003522   -0.009405   -0.000915
      0.000000  2.845151  2.845151    -0.033705   -0.073013    0.029998
      5.690301  2.845151  2.845151    -0.033705    0.012717   -0.031469
      0.000000  8.535452  2.845151     0.049434   -0.073013    0.031469
      5.690301  8.535452  2.845151     0.049434    0.012717   -0.029998
      0.000000  2.845151  8.535452    -0.049434   -0.012717    0.029998
      5.690301  2.845151  8.535452    -0.049434    0.073013   -0.031469
      0.000000  8.535452  8.535452     0.033705   -0.012717    0.031469
      5.690301  8.535452  8.535452     0.033705    0.073013   -0.029998
      2.845151  0.000000  2.845151     0.025629   -0.094991   -0.143859
      8.535452  0.000000  2.845151     0.025629    0.034695    0.084222
      2.845151  5.690301  2.845151    -0.009900   -0.094991   -0.084222
      8.535452  5.690301  2.845151    -0.009900    0.034695    0.143859
      2.845151  0.000000  8.535452     0.009900   -0.034695   -0.143859
      8.535452  0.000000  8.535452     0.009900    0.094991    0.084222
      2.845151  5.690301  8.535452    -0.025629   -0.034695   -0.084222
      8.535452  5.690301  8.535452    -0.025629    0.094991    0.143859
      2.845151  2.845151  0.000000    -0.055812   -0.012573   -0.114776
      8.535452  2.845151  0.000000    -0.055812    0.117114    0.113305
      2.845151  8.535452  0.000000     0.027327   -0.012573   -0.113305
      8.535452  8.535452  0.000000     0.027327    0.117114    0.114776
      2.845151  2.845151  5.690301    -0.027327   -0.117114   -0.114776
      8.535452  2.845151  5.690301    -0.027327    0.012573    0.113305
      2.845151  8.535452  5.690301     0.055812   -0.117114   -0.113305
      8.535452  8.535452  5.690301     0.055812    0.012573    0.114776
      2.845151  2.845151  2.845151    -0.038861   -0.109525   -0.132336
      8.535452  2.845151  2.845151    -0.038861    0.040003    0.130641
      2.845151  8.535452  2.845151     0.056998   -0.109525   -0.130641
      8.535452  8.535452  2.845151     0.056998    0.040003    0.132336
      2.845151  2.845151  8.535452    -0.056998   -0.040003   -0.132336
      8.535452  2.845151  8.535452    -0.056998    0.109525    0.130641
      2.845151  8.535452  8.535452     0.038861   -0.040003   -0.130641
      8.535452  8.535452  8.535452     0.038861    0.109525    0.132336
      2.845151  0.000000  0.000000     0.004061   -0.014496   -0.165869
      8.535452  0.000000  0.000000     0.004061    0.135032    0.097108
      2.845151  5.690301  0.000000    -0.036904   -0.014496   -0.097108
      8.535452  5.690301  0.000000    -0.036904    0.135032    0.165869
      2.845151  0.000000  5.690301     0.036904   -0.135032   -0.165869
      8.535452  0.000000  5.690301     0.036904    0.014496    0.097108
      2.845151  5.690301  5.690301    -0.004061   -0.135032   -0.097108
      8.535452  5.690301  5.690301    -0.004061    0.014496    0.165869
      0.000000  2.845151  0.000000    -0.064351    0.010844    0.034588
      5.690301  2.845151  0.000000    -0.064351    0.109691   -0.036283
      0.000000  8.535452  0.000000     0.031508    0.010844    0.036283
      5.690301  8.535452  0.000000     0.031508    0.109691   -0.034588
      0.000000  2.845151  5.690301    -0.031508   -0.109691    0.034588
      5.690301  2.845151  5.690301    -0.031508   -0.010844   -0.036283
      0.000000  8.535452  5.690301     0.064351   -0.109691    0.036283
      5.690301  8.535452  5.690301     0.064351   -0.010844   -0.034588
      0.000000  0.000000  2.845151     0.029551   -0.084184    0.001055
      5.690301  0.000000  2.845151     0.029551    0.014663   -0.069816
      0.000000  5.690301  2.845151    -0.011414   -0.084184    0.069816
      5.690301  5.690301  2.845151    -0.011414    0.014663   -0.001055
      0.000000  0.000000  8.535452     0.011414   -0.014663    0.001055
      5.690301  0.000000  8.535452     0.011414    0.084184   -0.069816
      0.000000  5.690301  8.535452    -0.029551   -0.014663    0.069816
      5.690301  5.690301  8.535452    -0.029551    0.084184   -0.001055

 180 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.045042    0.086750   -0.000184
      5.690301  0.000000  0.000000     0.045042    0.150776   -0.040496
      0.000000  5.690301  0.000000    -0.048231    0.086750    0.040496
      5.690301  5.690301  0.000000    -0.048231    0.150776    0.000184
      0.000000  0.000000  5.690301     0.048231   -0.150776   -0.000184
      5.690301  0.000000  5.690301     0.048231   -0.086750   -0.040496
      0.000000  5.690301  5.690301    -0.045042   -0.150776    0.040496
      5.690301  5.690301  5.690301    -0.045042   -0.086750    0.000184
      0.000000  2.845151  2.845151    -0.011058   -0.064123    0.033741
      5.690301  2.845151  2.845151    -0.011058   -0.000098   -0.006572
      0.000000  8.535452  2.845151    -0.006746   -0.064123    0.006572
      5.690301  8.535452  2.845151    -0.006746   -0.000098   -0.033741
      0.000000  2.845151  8.535452     0.006746    0.000098    0.033741
      5.690301  2.845151  8.535452     0.006746    0.064123   -0.006572
      0.000000  8.535452  8.535452     0.011058    0.000098    0.006572
      5.690301  8.535452  8.535452     0.011058    0.064123   -0.033741
      2.845151  0.000000  2.845151     0.037735    0.033043    0.035869
      8.535452  0.000000  2.845151     0.037735   -0.097264   -0.076549
      2.845151  5.690301  2.845151    -0.055539    0.033043    0.076549
      8.535452  5.690301  2.845151    -0.055539   -0.097264   -0.035869
      2.845151  0.000000  8.535452     0.055539    0.097264    0.035869
      8.535452  0.000000  8.535452     0.055539   -0.033043   -0.076549
      2.845151  5.690301  8.535452    -0.037735    0.097264    0.076549
      8.535452  5.690301  8.535452    -0.037735   -0.033043   -0.035869
      2.845151  2.845151  0.000000    -0.003750    0.183917    0.069793
      8.535452  2.845151  0.000000    -0.003750    0.053609   -0.042624
      2.845151  8.535452  0.000000     0.000561    0.183917    0.042624
      8.535452  8.535452  0.000000     0.000561    0.053609   -0.069793
      2.845151  2.845151  5.690301    -0.000561   -0.053609    0.069793
      8.535452  2.845151  5.690301    -0.000561   -0.183917   -0.042624
      2.845151  8.535452  5.690301     0.003750   -0.053609    0.042624
      8.535452  8.535452  5.690301     0.003750   -0.183917   -0.069793
      2.845151  2.845151  2.845151    -0.012749    0.038099    0.080471
      8.535452  2.845151  2.845151    -0.012749   -0.112145   -0.049146
      2.845151  8.535452  2.845151    -0.007778    0.038099    0.049146
      8.535452  8.535452  2.845151    -0.007778   -0.112145   -0.080471
      2.845151  2.845151  8.535452     0.007778    0.112145    0.080471
      8.535452  2.845151  8.535452     0.007778   -0.038099   -0.049146
      2.845151  8.535452  8.535452     0.012749    0.112145    0.049146
      8.535452  8.535452  8.535452     0.012749   -0.038099   -0.080471
      2.845151  0.000000  0.000000     0.051933    0.212055    0.041357
      8.535452  0.000000  0.000000     0.051933    0.061811   -0.088260
      2.845151  5.690301  0.000000    -0.055610    0.212055    0.088260
      8.535452  5.690301  0.000000    -0.055610    0.061811   -0.041357
      2.845151  0.000000  5.690301     0.055610   -0.061811    0.041357
      8.535452  0.000000  5.690301     0.055610   -0.212055   -0.088260
      2.845151  5.690301  5.690301    -0.051933   -0.061811    0.088260
      8.535452  5.690301  5.690301    -0.051933   -0.212055   -0.041357
      0.000000  2.845151  0.000000    -0.004324    0.100023    0.038903
      5.690301  2.845151  0.000000    -0.004324    0.173844   -0.007577
      0.000000  8.535452  0.000000     0.000647    0.100023    0.007577
      5.690301  8.535452  0.000000     0.000647    0.173844   -0.038903
      0.000000  2.845151  5.690301    -0.000647   -0.173844    0.038903
      5.690301  2.845151  5.690301    -0.000647   -0.100023   -0.007577
      0.000000  8.535452  5.690301     0.004324   -0.173844    0.007577
      5.690301  8.535452  5.690301     0.004324   -0.100023   -0.038903
      0.000000  0.000000  2.845151     0.043508   -0.073934   -0.000212
      5.690301  0.000000  2.845151     0.043508   -0.000113   -0.046692
      0.000000  5.690301  2.845151    -0.064036   -0.073934    0.046692
      5.690301  5.690301  2.845151    -0.064036   -0.000113    0.000212
      0.000000  0.000000  8.535452     0.064036    0.000113   -0.000212
      5.690301  0.000000  8.535452     0.064036    0.073934   -0.046692
      0.000000  5.690301  8.535452    -0.043508    0.000113    0.046692
      5.690301  5.690301  8.535452    -0.043508    0.073934    0.000212

 181 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.026809    0.026506    0.016327
      5.690301  0.000000  0.000000     0.026809   -0.014519   -0.045537
      0.000000  5.690301  0.000000    -0.038197    0.026506    0.045537
      5.690301  5.690301  0.000000    -0.038197   -0.014519   -0.016327
      0.000000  0.000000  5.690301     0.038197    0.014519    0.016327
      5.690301  0.000000  5.690301     0.038197   -0.026506   -0.045537
      0.000000  5.690301  5.690301    -0.026809    0.014519    0.045537
      5.690301  5.690301  5.690301    -0.026809   -0.026506   -0.016327
      0.000000  2.845151  2.845151    -0.094032    0.081793    0.054304
      5.690301  2.845151  2.845151    -0.094032    0.040767   -0.007560
      0.000000  8.535452  2.845151     0.081904    0.081793    0.007560
      5.690301  8.535452  2.845151     0.081904    0.040767   -0.054304
      0.000000  2.845151  8.535452    -0.081904   -0.040767    0.054304
      5.690301  2.845151  8.535452    -0.081904   -0.081793   -0.007560
      0.000000  8.535452  8.535452     0.094032   -0.040767    0.007560
      5.690301  8.535452  8.535452     0.094032   -0.081793   -0.054304
      2.845151  0.000000  2.845151     0.026439   -0.019535    0.059608
      8.535452  0.000000  2.845151     0.026439    0.142095   -0.088819
      2.845151  5.690301  2.845151    -0.038567   -0.019535    0.088819
      8.535452  5.690301  2.845151    -0.038567    0.142095   -0.059608
      2.845151  0.000000  8.535452     0.038567   -0.142095    0.059608
      8.535452  0.000000  8.535452     0.038567    0.019535   -0.088819
      2.845151  5.690301  8.535452    -0.026439   -0.142095    0.088819
      8.535452  5.690301  8.535452    -0.026439    0.019535   -0.059608
      2.845151  2.845151  0.000000    -0.093661   -0.074821    0.097586
      8.535452  2.845151  0.000000    -0.093661    0.086808   -0.050841
      2.845151  8.535452  0.000000     0.082274   -0.074821    0.050841
      8.535452  8.535452  0.000000     0.082274    0.086808   -0.097586
      2.845151  2.845151  5.690301    -0.082274   -0.086808    0.097586
      8.535452  2.845151  5.690301    -0.082274    0.074821   -0.050841
      2.845151  8.535452  5.690301     0.093661   -0.086808    0.050841
      8.535452  8.535452  5.690301     0.093661    0.074821   -0.097586
      2.845151  2.845151  2.845151    -0.108418   -0.022524    0.112516
      8.535452  2.845151  2.845151    -0.108418    0.163835   -0.058620
      2.845151  8.535452  2.845151     0.094435   -0.022524    0.058620
      8.535452  8.535452  2.845151     0.094435    0.163835   -0.112516
      2.845151  2.845151  8.535452    -0.094435   -0.163835    0.112516
      8.535452  2.845151  8.535452    -0.094435    0.022524   -0.058620
      2.845151  8.535452  8.535452     0.108418   -0.163835    0.058620
      8.535452  8.535452  8.535452     0.108418    0.022524   -0.112516
      2.845151  0.000000  0.000000     0.030911   -0.086269    0.068728
      8.535452  0.000000  0.000000     0.030911    0.100090   -0.102408
      2.845151  5.690301  0.000000    -0.044040   -0.086269    0.102408
      8.535452  5.690301  0.000000    -0.044040    0.100090   -0.068728
      2.845151  0.000000  5.690301     0.044040   -0.100090    0.068728
      8.535452  0.000000  5.690301     0.044040    0.086269   -0.102408
      2.845151  5.690301  5.690301    -0.030911   -0.100090    0.102408
      8.535452  5.690301  5.690301    -0.030911    0.086269   -0.068728
      0.000000  2.845151  0.000000    -0.107991    0.030562    0.062612
      5.690301  2.845151  0.000000    -0.107991   -0.016741   -0.008716
      0.000000  8.535452  0.000000     0.094862    0.030562    0.008716
      5.690301  8.535452  0.000000     0.094862   -0.016741   -0.062612
      0.000000  2.845151  5.690301    -0.094862    0.016741    0.062612
      5.690301  2.845151  5.690301    -0.094862   -0.030562   -0.008716
      0.000000  8.535452  5.690301     0.107991    0.016741    0.008716
      5.690301  8.535452  5.690301     0.107991   -0.030562   -0.062612
      0.000000  0.000000  2.845151     0.030484    0.094307    0.018824
      5.690301  0.000000  2.845151     0.030484    0.047004   -0.052504
      0.000000  5.690301  2.845151    -0.044467    0.094307    0.052504
      5.690301  5.690301  2.845151    -0.044467    0.047004   -0.018824
      0.000000  0.000000  8.535452     0.044467   -0.047004    0.018824
      5.690301  0.000000  8.535452     0.044467   -0.094307   -0.052504
      0.000000  5.690301  8.535452    -0.030484   -0.047004    0.052504
      5.690301  5.690301  8.535452    -0.030484   -0.094307   -0.018824

 182 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.049644   -0.132859   -0.100259
      5.690301  0.000000  0.000000    -0.049644    0.112885    0.015516
      0.000000  5.690301  0.000000     0.032957   -0.132859   -0.015516
      5.690301  5.690301  0.000000     0.032957    0.112885    0.100259
      0.000000  0.000000  5.690301    -0.032957   -0.112885   -0.100259
      5.690301  0.000000  5.690301    -0.032957    0.132859    0.015516
      0.000000  5.690301  5.690301     0.049644   -0.112885   -0.015516
      5.690301  5.690301  5.690301     0.049644    0.132859    0.100259
      0.000000  2.845151  2.845151     0.017117   -0.090950   -0.017420
      5.690301  2.845151  2.845151     0.017117    0.154794    0.098355
      0.000000  8.535452  2.845151    -0.029913   -0.090950   -0.098355
      5.690301  8.535452  2.845151    -0.029913    0.154794    0.017420
      0.000000  2.845151  8.535452     0.029913   -0.154794   -0.017420
      5.690301  2.845151  8.535452     0.029913    0.090950    0.098355
      0.000000  8.535452  8.535452    -0.017117   -0.154794   -0.098355
      5.690301  8.535452  8.535452    -0.017117    0.090950    0.017420
      2.845151  0.000000  2.845151    -0.047698    0.006420   -0.013890
      8.535452  0.000000  2.845151    -0.047698    0.057424   -0.070853
      2.845151  5.690301  2.845151     0.034902    0.006420    0.070853
      8.535452  5.690301  2.845151     0.034902    0.057424    0.013890
      2.845151  0.000000  8.535452    -0.034902   -0.057424   -0.013890
      8.535452  0.000000  8.535452    -0.034902   -0.006420   -0.070853
      2.845151  5.690301  8.535452     0.047698   -0.057424    0.070853
      8.535452  5.690301  8.535452     0.047698   -0.006420    0.013890
      2.845151  2.845151  0.000000     0.015172   -0.035489    0.068949
      8.535452  2.845151  0.000000     0.015172    0.015515    0.011985
      2.845151  8.535452  0.000000    -0.031858   -0.035489   -0.011985
      8.535452  8.535452  0.000000    -0.031858    0.015515   -0.068949
      2.845151  2.845151  5.690301     0.031858   -0.015515    0.068949
      8.535452  2.845151  5.690301     0.031858    0.035489    0.011985
      2.845151  8.535452  5.690301    -0.015172   -0.015515   -0.011985
      8.535452  8.535452  5.690301    -0.015172    0.035489   -0.068949
      2.845151  2.845151  2.845151     0.019736    0.007402    0.079498
      8.535452  2.845151  2.845151     0.019736    0.066210    0.013819
      2.845151  8.535452  2.845151    -0.034490    0.007402   -0.013819
      8.535452  8.535452  2.845151    -0.034490    0.066210   -0.079498
      2.845151  2.845151  8.535452     0.034490   -0.066210    0.079498
      8.535452  2.845151  8.535452     0.034490   -0.007402    0.013819
      2.845151  8.535452  8.535452    -0.019736   -0.066210   -0.013819
      8.535452  8.535452  8.535452    -0.019736   -0.007402   -0.079498
      2.845151  0.000000  0.000000    -0.057239   -0.040918   -0.016015
      8.535452  0.000000  0.000000    -0.057239    0.017889   -0.081694
      2.845151  5.690301  0.000000     0.038000   -0.040918    0.081694
      8.535452  5.690301  0.000000     0.038000    0.017889    0.016015
      2.845151  0.000000  5.690301    -0.038000   -0.017889   -0.016015
      8.535452  0.000000  5.690301    -0.038000    0.040918   -0.081694
      2.845151  5.690301  5.690301     0.057239   -0.017889    0.081694
      8.535452  5.690301  5.690301     0.057239    0.040918    0.016015
      0.000000  2.845151  0.000000     0.017493   -0.153185   -0.020086
      5.690301  2.845151  0.000000     0.017493    0.130156    0.113403
      0.000000  8.535452  0.000000    -0.036732   -0.153185   -0.113403
      5.690301  8.535452  0.000000    -0.036732    0.130156    0.020086
      0.000000  2.845151  5.690301     0.036732   -0.130156   -0.020086
      5.690301  2.845151  5.690301     0.036732    0.153185    0.113403
      0.000000  8.535452  5.690301    -0.017493   -0.130156   -0.113403
      5.690301  8.535452  5.690301    -0.017493    0.153185    0.020086
      0.000000  0.000000  2.845151    -0.054996   -0.104865   -0.115598
      5.690301  0.000000  2.845151    -0.054996    0.178477    0.017890
      0.000000  5.690301  2.845151     0.040242   -0.104865   -0.017890
      5.690301  5.690301  2.845151     0.040242    0.178477    0.115598
      0.000000  0.000000  8.535452    -0.040242   -0.178477   -0.115598
      5.690301  0.000000  8.535452    -0.040242    0.104865    0.017890
      0.000000  5.690301  8.535452     0.054996   -0.178477   -0.017890
      5.690301  5.690301  8.535452     0.054996    0.104865    0.115598

 183 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.113906    0.061108   -0.047099
      5.690301  0.000000  0.000000    -0.113906    0.021682   -0.019970
      0.000000  5.690301  0.000000     0.118116    0.061108    0.019970
      5.690301  5.690301  0.000000     0.118116    0.021682    0.047099
      0.000000  0.000000  5.690301    -0.118116   -0.021682   -0.047099
      5.690301  0.000000  5.690301    -0.118116   -0.061108   -0.019970
      0.000000  5.690301  5.690301     0.113906   -0.021682    0.019970
      5.690301  5.690301  5.690301     0.113906   -0.061108    0.047099
      0.000000  2.845151  2.845151    -0.052949    0.044600   -0.068023
      5.690301  2.845151  2.845151    -0.052949    0.005174   -0.040895
      0.000000  8.535452  2.845151     0.084983    0.044600    0.040895
      5.690301  8.535452  2.845151     0.084983    0.005174    0.068023
      0.000000  2.845151  8.535452    -0.084983   -0.005174   -0.068023
      5.690301  2.845151  8.535452    -0.084983   -0.044600   -0.040895
      0.000000  8.535452  8.535452     0.052949   -0.005174    0.040895
      5.690301  8.535452  8.535452     0.052949   -0.044600    0.068023
      2.845151  0.000000  2.845151    -0.099993    0.061667   -0.036089
      8.535452  0.000000  2.845151    -0.099993   -0.011892   -0.030980
      2.845151  5.690301  2.845151     0.132028    0.061667    0.030980
      8.535452  5.690301  2.845151     0.132028   -0.011892    0.036089
      2.845151  0.000000  8.535452    -0.132028    0.011892   -0.036089
      8.535452  0.000000  8.535452    -0.132028   -0.061667   -0.030980
      2.845151  5.690301  8.535452     0.099993    0.011892    0.030980
      8.535452  5.690301  8.535452     0.099993   -0.061667    0.036089
      2.845151  2.845151  0.000000    -0.066861    0.078175   -0.057014
      8.535452  2.845151  0.000000    -0.066861    0.004616   -0.051904
      2.845151  8.535452  0.000000     0.071071    0.078175    0.051904
      8.535452  8.535452  0.000000     0.071071    0.004616    0.057014
      2.845151  2.845151  5.690301    -0.071071   -0.004616   -0.057014
      8.535452  2.845151  5.690301    -0.071071   -0.078175   -0.051904
      2.845151  8.535452  5.690301     0.066861   -0.004616    0.051904
      8.535452  8.535452  5.690301     0.066861   -0.078175    0.057014
      2.845151  2.845151  2.845151    -0.061050    0.071101   -0.065737
      8.535452  2.845151  2.845151    -0.061050   -0.013712   -0.059846
      2.845151  8.535452  2.845151     0.097985    0.071101    0.059846
      8.535452  8.535452  2.845151     0.097985   -0.013712    0.065737
      2.845151  2.845151  8.535452    -0.097985    0.013712   -0.065737
      8.535452  2.845151  8.535452    -0.097985   -0.071101   -0.059846
      2.845151  8.535452  8.535452     0.061050    0.013712    0.059846
      8.535452  8.535452  8.535452     0.061050   -0.071101    0.065737
      2.845151  0.000000  0.000000    -0.131333    0.090135   -0.041611
      8.535452  0.000000  0.000000    -0.131333    0.005322   -0.035720
      2.845151  5.690301  0.000000     0.136187    0.090135    0.035720
      8.535452  5.690301  0.000000     0.136187    0.005322    0.041611
      2.845151  0.000000  5.690301    -0.136187   -0.005322   -0.041611
      8.535452  0.000000  5.690301    -0.136187   -0.090135   -0.035720
      2.845151  5.690301  5.690301     0.131333   -0.005322    0.035720
      8.535452  5.690301  5.690301     0.131333   -0.090135    0.041611
      0.000000  2.845151  0.000000    -0.077090    0.070457   -0.078431
      5.690301  2.845151  0.000000    -0.077090    0.025000   -0.047152
      0.000000  8.535452  0.000000     0.081945    0.070457    0.047152
      5.690301  8.535452  0.000000     0.081945    0.025000    0.078431
      0.000000  2.845151  5.690301    -0.081945   -0.025000   -0.078431
      5.690301  2.845151  5.690301    -0.081945   -0.070457   -0.047152
      0.000000  8.535452  5.690301     0.077090   -0.025000    0.047152
      5.690301  8.535452  5.690301     0.077090   -0.070457    0.078431
      0.000000  0.000000  2.845151    -0.115292    0.051424   -0.054305
      5.690301  0.000000  2.845151    -0.115292    0.005966   -0.023026
      0.000000  5.690301  2.845151     0.152228    0.051424    0.023026
      5.690301  5.690301  2.845151     0.152228    0.005966    0.054305
      0.000000  0.000000  8.535452    -0.152228   -0.005966   -0.054305
      5.690301  0.000000  8.535452    -0.152228   -0.051424   -0.023026
      0.000000  5.690301  8.535452     0.115292   -0.005966    0.023026
      5.690301  5.690301  8.535452     0.115292   -0.051424    0.054305

 184 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.030917    0.089503   -0.001467
      5.690301  0.000000  0.000000    -0.030917    0.024666    0.182493
      0.000000  5.690301  0.000000     0.004301    0.089503   -0.182493
      5.690301  5.690301  0.000000     0.004301    0.024666    0.001467
      0.000000  0.000000  5.690301    -0.004301   -0.024666   -0.001467
      5.690301  0.000000  5.690301    -0.004301   -0.089503    0.182493
      0.000000  5.690301  5.690301     0.030917   -0.024666   -0.182493
      5.690301  5.690301  5.690301     0.030917   -0.089503    0.001467
      0.000000  2.845151  2.845151    -0.020843    0.027603   -0.026820
      5.690301  2.845151  2.845151    -0.020843   -0.037235    0.157139
      0.000000  8.535452  2.845151     0.016530    0.027603   -0.157139
      5.690301  8.535452  2.845151     0.016530   -0.037235    0.026820
      0.000000  2.845151  8.535452    -0.016530    0.037235   -0.026820
      5.690301  2.845151  8.535452    -0.016530   -0.027603    0.157139
      0.000000  8.535452  8.535452     0.020843    0.037235   -0.157139
      5.690301  8.535452  8.535452     0.020843   -0.027603    0.026820
      2.845151  0.000000  2.845151    -0.019766   -0.028008    0.075659
      8.535452  0.000000  2.845151    -0.019766    0.018376    0.105367
      2.845151  5.690301  2.845151     0.015453   -0.028008   -0.105367
      8.535452  5.690301  2.845151     0.015453    0.018376   -0.075659
      2.845151  0.000000  8.535452    -0.015453   -0.018376    0.075659
      8.535452  0.000000  8.535452    -0.015453    0.028008    0.105367
      2.845151  5.690301  8.535452     0.019766   -0.018376   -0.105367
      8.535452  5.690301  8.535452     0.019766    0.028008   -0.075659
      2.845151  2.845151  0.000000    -0.031994    0.033893    0.050305
      8.535452  2.845151  0.000000    -0.031994    0.080276    0.080014
      2.845151  8.535452  0.000000     0.005378    0.033893   -0.080014
      8.535452  8.535452  0.000000     0.005378    0.080276   -0.050305
      2.845151  2.845151  5.690301    -0.005378   -0.080276    0.050305
      8.535452  2.845151  5.690301    -0.005378   -0.033893    0.080014
      2.845151  8.535452  5.690301     0.031994   -0.080276   -0.080014
      8.535452  8.535452  5.690301     0.031994   -0.033893   -0.050305
      2.845151  2.845151  2.845151    -0.024031   -0.032293    0.058002
      8.535452  2.845151  2.845151    -0.024031    0.021187    0.092256
      2.845151  8.535452  2.845151     0.019059   -0.032293   -0.092256
      8.535452  8.535452  2.845151     0.019059    0.021187   -0.058002
      2.845151  2.845151  8.535452    -0.019059   -0.021187    0.058002
      8.535452  2.845151  8.535452    -0.019059    0.032293    0.092256
      2.845151  8.535452  8.535452     0.024031   -0.021187   -0.092256
      8.535452  8.535452  8.535452     0.024031    0.032293   -0.058002
      2.845151  0.000000  0.000000    -0.035647    0.039078    0.087234
      8.535452  0.000000  0.000000    -0.035647    0.092558    0.121488
      2.845151  5.690301  0.000000     0.004959    0.039078   -0.121488
      8.535452  5.690301  0.000000     0.004959    0.092558   -0.087234
      2.845151  0.000000  5.690301    -0.004959   -0.092558    0.087234
      8.535452  0.000000  5.690301    -0.004959   -0.039078    0.121488
      2.845151  5.690301  5.690301     0.035647   -0.092558   -0.121488
      8.535452  5.690301  5.690301     0.035647   -0.039078   -0.087234
      0.000000  2.845151  0.000000    -0.036889    0.103197   -0.030923
      5.690301  2.845151  0.000000    -0.036889    0.028439    0.181181
      0.000000  8.535452  0.000000     0.006201    0.103197   -0.181181
      5.690301  8.535452  0.000000     0.006201    0.028439    0.030923
      0.000000  2.845151  5.690301    -0.006201   -0.028439   -0.030923
      5.690301  2.845151  5.690301    -0.006201   -0.103197    0.181181
      0.000000  8.535452  5.690301     0.036889   -0.028439   -0.181181
      5.690301  8.535452  5.690301     0.036889   -0.103197    0.030923
      0.000000  0.000000  2.845151    -0.022790    0.031826   -0.001691
      5.690301  0.000000  2.845151    -0.022790   -0.042931    0.210413
      0.000000  5.690301  2.845151     0.017817    0.031826   -0.210413
      5.690301  5.690301  2.845151     0.017817   -0.042931    0.001691
      0.000000  0.000000  8.535452    -0.017817    0.042931   -0.001691
      5.690301  0.000000  8.535452    -0.017817   -0.031826    0.210413
      0.000000  5.690301  8.535452     0.022790    0.042931   -0.210413
      5.690301  5.690301  8.535452     0.022790   -0.031826    0.001691

 185 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.052935   -0.053035    0.202733
      5.690301  0.000000  0.000000    -0.052935    0.061847    0.008063
      0.000000  5.690301  0.000000     0.046805   -0.053035   -0.008063
      5.690301  5.690301  0.000000     0.046805    0.061847   -0.202733
      0.000000  0.000000  5.690301    -0.046805   -0.061847    0.202733
      5.690301  0.000000  5.690301    -0.046805    0.053035    0.008063
      0.000000  5.690301  5.690301     0.052935   -0.061847   -0.008063
      5.690301  5.690301  5.690301     0.052935    0.053035   -0.202733
      0.000000  2.845151  2.845151     0.007424   -0.040532    0.104003
      5.690301  2.845151  2.845151     0.007424    0.074351   -0.090667
      0.000000  8.535452  2.845151     0.001862   -0.040532    0.090667
      5.690301  8.535452  2.845151     0.001862    0.074351   -0.104003
      0.000000  2.845151  8.535452    -0.001862   -0.074351    0.104003
      5.690301  2.845151  8.535452    -0.001862    0.040532   -0.090667
      0.000000  8.535452  8.535452    -0.007424   -0.074351    0.090667
      5.690301  8.535452  8.535452    -0.007424    0.040532   -0.104003
      2.845151  0.000000  2.845151    -0.045227    0.019791    0.113450
      8.535452  0.000000  2.845151    -0.045227    0.014028    0.097346
      2.845151  5.690301  2.845151     0.054513    0.019791   -0.097346
      8.535452  5.690301  2.845151     0.054513    0.014028   -0.113450
      2.845151  0.000000  8.535452    -0.054513   -0.014028    0.113450
      8.535452  0.000000  8.535452    -0.054513   -0.019791    0.097346
      2.845151  5.690301  8.535452     0.045227   -0.014028   -0.097346
      8.535452  5.690301  8.535452     0.045227   -0.019791   -0.113450
      2.845151  2.845151  0.000000    -0.000284    0.007288    0.014720
      8.535452  2.845151  0.000000    -0.000284    0.001524   -0.001384
      2.845151  8.535452  0.000000    -0.005846    0.007288    0.001384
      8.535452  8.535452  0.000000    -0.005846    0.001524   -0.014720
      2.845151  2.845151  5.690301     0.005846   -0.001524    0.014720
      8.535452  2.845151  5.690301     0.005846   -0.007288   -0.001384
      2.845151  8.535452  5.690301     0.000284   -0.001524    0.001384
      8.535452  8.535452  5.690301     0.000284   -0.007288   -0.014720
      2.845151  2.845151  2.845151     0.008560    0.022819    0.016972
      8.535452  2.845151  2.845151     0.008560    0.016174   -0.001596
      2.845151  8.535452  2.845151     0.002147    0.022819    0.001596
      8.535452  8.535452  2.845151     0.002147    0.016174   -0.016972
      2.845151  2.845151  8.535452    -0.002147   -0.016174    0.016972
      8.535452  2.845151  8.535452    -0.002147   -0.022819   -0.001596
      2.845151  8.535452  8.535452    -0.008560   -0.016174    0.001596
      8.535452  8.535452  8.535452    -0.008560   -0.022819   -0.016972
      2.845151  0.000000  0.000000    -0.061034    0.008403    0.130807
      8.535452  0.000000  0.000000    -0.061034    0.001758    0.112239
      2.845151  5.690301  0.000000     0.053966    0.008403   -0.112239
      8.535452  5.690301  0.000000     0.053966    0.001758   -0.130807
      2.845151  0.000000  5.690301    -0.053966   -0.001758    0.130807
      8.535452  0.000000  5.690301    -0.053966   -0.008403    0.112239
      2.845151  5.690301  5.690301     0.061034   -0.001758   -0.112239
      8.535452  5.690301  5.690301     0.061034   -0.008403   -0.130807
      0.000000  2.845151  0.000000    -0.000327   -0.061150    0.119915
      5.690301  2.845151  0.000000    -0.000327    0.071310   -0.104538
      0.000000  8.535452  0.000000    -0.006740   -0.061150    0.104538
      5.690301  8.535452  0.000000    -0.006740    0.071310   -0.119915
      0.000000  2.845151  5.690301     0.006740   -0.071310    0.119915
      5.690301  2.845151  5.690301     0.006740    0.061150   -0.104538
      0.000000  8.535452  5.690301     0.000327   -0.071310    0.104538
      5.690301  8.535452  5.690301     0.000327    0.061150   -0.119915
      0.000000  0.000000  2.845151    -0.052146   -0.046733    0.233750
      5.690301  0.000000  2.845151    -0.052146    0.085726    0.009297
      0.000000  5.690301  2.845151     0.062854   -0.046733   -0.009297
      5.690301  5.690301  2.845151     0.062854    0.085726   -0.233750
      0.000000  0.000000  8.535452    -0.062854   -0.085726    0.233750
      5.690301  0.000000  8.535452    -0.062854    0.046733    0.009297
      0.000000  5.690301  8.535452     0.052146   -0.085726   -0.009297
      5.690301  5.690301  8.535452     0.052146    0.046733   -0.233750

 186 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.081078    0.105709    0.000002
      5.690301  0.000000  0.000000    -0.081078   -0.009234   -0.082084
      0.000000  5.690301  0.000000     0.033596    0.105709    0.082084
      5.690301  5.690301  0.000000     0.033596   -0.009234   -0.000002
      0.000000  0.000000  5.690301    -0.033596    0.009234    0.000002
      5.690301  0.000000  5.690301    -0.033596   -0.105709   -0.082084
      0.000000  5.690301  5.690301     0.081078    0.009234    0.082084
      5.690301  5.690301  5.690301     0.081078   -0.105709   -0.000002
      0.000000  2.845151  2.845151     0.096072    0.060554    0.074612
      5.690301  2.845151  2.845151     0.096072   -0.054388   -0.007474
      0.000000  8.535452  2.845151    -0.095156    0.060554    0.007474
      5.690301  8.535452  2.845151    -0.095156   -0.054388   -0.074612
      0.000000  2.845151  8.535452     0.095156    0.054388    0.074612
      5.690301  2.845151  8.535452     0.095156   -0.060554   -0.007474
      0.000000  8.535452  8.535452    -0.096072    0.054388    0.007474
      5.690301  8.535452  8.535452    -0.096072   -0.060554   -0.074612
      2.845151  0.000000  2.845151    -0.056879   -0.056101   -0.026909
      8.535452  0.000000  2.845151    -0.056879    0.062267   -0.055173
      2.845151  5.690301  2.845151     0.057795   -0.056101    0.055173
      8.535452  5.690301  2.845151     0.057795    0.062267    0.026909
      2.845151  0.000000  8.535452    -0.057795   -0.062267   -0.026909
      8.535452  0.000000  8.535452    -0.057795    0.056101   -0.055173
      2.845151  5.690301  8.535452     0.056879   -0.062267    0.055173
      8.535452  5.690301  8.535452     0.056879    0.056101    0.026909
      2.845151  2.845151  0.000000     0.071873   -0.010946    0.047701
      8.535452  2.845151  0.000000     0.071873    0.107421    0.019437
      2.845151  8.535452  0.000000    -0.119355   -0.010946   -0.019437
      8.535452  8.535452  0.000000    -0.119355    0.107421   -0.047701
      2.845151  2.845151  5.690301     0.119355   -0.107421    0.047701
      8.535452  2.845151  5.690301     0.119355    0.010946    0.019437
      2.845151  8.535452  5.690301    -0.071873   -0.107421   -0.019437
      8.535452  8.535452  5.690301    -0.071873    0.010946   -0.047701
      2.845151  2.845151  2.845151     0.110771   -0.064684    0.054999
      8.535452  2.845151  2.845151     0.110771    0.071793    0.022411
      2.845151  8.535452  2.845151    -0.109715   -0.064684   -0.022411
      8.535452  8.535452  2.845151    -0.109715    0.071793   -0.054999
      2.845151  2.845151  8.535452     0.109715   -0.071793    0.054999
      8.535452  2.845151  8.535452     0.109715    0.064684    0.022411
      2.845151  8.535452  8.535452    -0.110771   -0.071793   -0.022411
      8.535452  8.535452  8.535452    -0.110771    0.064684   -0.054999
      2.845151  0.000000  0.000000    -0.093483   -0.012621   -0.031026
      8.535452  0.000000  0.000000    -0.093483    0.123856   -0.063614
      2.845151  5.690301  0.000000     0.038736   -0.012621    0.063614
      8.535452  5.690301  0.000000     0.038736    0.123856    0.031026
      2.845151  0.000000  5.690301    -0.038736   -0.123856   -0.031026
      8.535452  0.000000  5.690301    -0.038736    0.012621   -0.063614
      2.845151  5.690301  5.690301     0.093483   -0.123856    0.063614
      8.535452  5.690301  5.690301     0.093483    0.012621    0.031026
      0.000000  2.845151  0.000000     0.082870    0.121882    0.086027
      5.690301  2.845151  0.000000     0.082870   -0.010646   -0.008617
      0.000000  8.535452  0.000000    -0.137616    0.121882    0.008617
      5.690301  8.535452  0.000000    -0.137616   -0.010646   -0.086027
      0.000000  2.845151  5.690301     0.137616    0.010646    0.086027
      5.690301  2.845151  5.690301     0.137616   -0.121882   -0.008617
      0.000000  8.535452  5.690301    -0.082870    0.010646    0.008617
      5.690301  8.535452  5.690301    -0.082870   -0.121882   -0.086027
      0.000000  0.000000  2.845151    -0.065582    0.069819    0.000002
      5.690301  0.000000  2.845151    -0.065582   -0.062709   -0.094642
      0.000000  5.690301  2.845151     0.066637    0.069819    0.094642
      5.690301  5.690301  2.845151     0.066637   -0.062709   -0.000002
      0.000000  0.000000  8.535452    -0.066637    0.062709    0.000002
      5.690301  0.000000  8.535452    -0.066637   -0.069819   -0.094642
      0.000000  5.690301  8.535452     0.065582    0.062709    0.094642
      5.690301  5.690301  8.535452     0.065582   -0.069819   -0.000002

 187 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.143549    0.017994    0.000927
      5.690301  0.000000  0.000000     0.143549    0.026041    0.013015
      0.000000  5.690301  0.000000     0.161442    0.017994   -0.013015
      5.690301  5.690301  0.000000     0.161442    0.026041   -0.000927
      0.000000  0.000000  5.690301    -0.161442   -0.026041    0.000927
      5.690301  0.000000  5.690301    -0.161442   -0.017994    0.013015
      0.000000  5.690301  5.690301    -0.143549   -0.026041   -0.013015
      5.690301  5.690301  5.690301    -0.143549   -0.017994   -0.000927
      0.000000  2.845151  2.845151    -0.019506   -0.013200   -0.022996
      5.690301  2.845151  2.845151    -0.019506   -0.005154   -0.010908
      0.000000  8.535452  2.845151    -0.044618   -0.013200    0.010908
      5.690301  8.535452  2.845151    -0.044618   -0.005154    0.022996
      0.000000  2.845151  8.535452     0.044618    0.005154   -0.022996
      5.690301  2.845151  8.535452     0.044618    0.013200   -0.010908
      0.000000  8.535452  8.535452     0.019506    0.005154    0.010908
      5.690301  8.535452  8.535452     0.019506    0.013200    0.022996
      2.845151  0.000000  2.845151    -0.041009   -0.045713    0.011207
      8.535452  0.000000  2.845151    -0.041009    0.027359    0.002735
      2.845151  5.690301  2.845151    -0.023115   -0.045713   -0.002735
      8.535452  5.690301  2.845151    -0.023115    0.027359   -0.011207
      2.845151  0.000000  8.535452     0.023115   -0.027359    0.011207
      8.535452  0.000000  8.535452     0.023115    0.045713    0.002735
      2.845151  5.690301  8.535452     0.041009   -0.027359   -0.002735
      8.535452  5.690301  8.535452     0.041009    0.045713   -0.011207
      2.845151  2.845151  0.000000     0.165051   -0.014519   -0.012716
      8.535452  2.845151  0.000000     0.165051    0.058554   -0.021187
      2.845151  8.535452  0.000000     0.139940   -0.014519    0.021187
      8.535452  8.535452  0.000000     0.139940    0.058554    0.012716
      2.845151  2.845151  5.690301    -0.139940   -0.058554   -0.012716
      8.535452  2.845151  5.690301    -0.139940    0.014519   -0.021187
      2.845151  8.535452  5.690301    -0.165051   -0.058554    0.021187
      8.535452  8.535452  5.690301    -0.165051    0.014519    0.012716
      2.845151  2.845151  2.845151    -0.022491   -0.052707   -0.014662
      8.535452  2.845151  2.845151    -0.022491    0.031545   -0.024429
      2.845151  8.535452  2.845151    -0.051444   -0.052707    0.024429
      8.535452  8.535452  2.845151    -0.051444    0.031545    0.014662
      2.845151  2.845151  8.535452     0.051444   -0.031545   -0.014662
      8.535452  2.845151  8.535452     0.051444    0.052707   -0.024429
      2.845151  8.535452  8.535452     0.022491   -0.031545    0.024429
      8.535452  8.535452  8.535452     0.022491    0.052707    0.014662
      2.845151  0.000000  0.000000     0.165511   -0.016740    0.012921
      8.535452  0.000000  0.000000     0.165511    0.067512    0.003154
      2.845151  5.690301  0.000000     0.186142   -0.016740   -0.003154
      8.535452  5.690301  0.000000     0.186142    0.067512   -0.012921
      2.845151  0.000000  5.690301    -0.186142   -0.067512    0.012921
      8.535452  0.000000  5.690301    -0.186142    0.016740    0.003154
      2.845151  5.690301  5.690301    -0.165511   -0.067512   -0.003154
      8.535452  5.690301  5.690301    -0.165511    0.016740   -0.012921
      0.000000  2.845151  0.000000     0.190303    0.020747   -0.026514
      5.690301  2.845151  0.000000     0.190303    0.030025   -0.012577
      0.000000  8.535452  0.000000     0.161350    0.020747    0.012577
      5.690301  8.535452  0.000000     0.161350    0.030025    0.026514
      0.000000  2.845151  5.690301    -0.161350   -0.030025   -0.026514
      5.690301  2.845151  5.690301    -0.161350   -0.020747   -0.012577
      0.000000  8.535452  5.690301    -0.190303   -0.030025    0.012577
      5.690301  8.535452  5.690301    -0.190303   -0.020747    0.026514
      0.000000  0.000000  2.845151    -0.047283   -0.015220    0.001069
      5.690301  0.000000  2.845151    -0.047283   -0.005942    0.015006
      0.000000  5.690301  2.845151    -0.026652   -0.015220   -0.015006
      5.690301  5.690301  2.845151    -0.026652   -0.005942   -0.001069
      0.000000  0.000000  8.535452     0.026652    0.005942    0.001069
      5.690301  0.000000  8.535452     0.026652    0.015220    0.015006
      0.000000  5.690301  8.535452     0.047283    0.005942   -0.015006
      5.690301  5.690301  8.535452     0.047283    0.015220   -0.001069

 188 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.009081    0.012348    0.000005
      5.690301  0.000000  0.000000    -0.009081    0.050203    0.072809
      0.000000  5.690301  0.000000    -0.054730    0.012348   -0.072809
      5.690301  5.690301  0.000000    -0.054730    0.050203   -0.000005
      0.000000  0.000000  5.690301     0.054730   -0.050203    0.000005
      5.690301  0.000000  5.690301     0.054730   -0.012348    0.072809
      0.000000  5.690301  5.690301     0.009081   -0.050203   -0.072809
      5.690301  5.690301  5.690301     0.009081   -0.012348   -0.000005
      0.000000  2.845151  2.845151     0.063431   -0.017968   -0.158723
      5.690301  2.845151  2.845151     0.063431    0.019888   -0.085920
      0.000000  8.535452  2.845151    -0.006949   -0.017968    0.085920
      5.690301  8.535452  2.845151    -0.006949    0.019888    0.158723
      0.000000  2.845151  8.535452     0.006949   -0.019888   -0.158723
      5.690301  2.845151  8.535452     0.006949    0.017968   -0.085920
      0.000000  8.535452  8.535452    -0.063431   -0.019888    0.085920
      5.690301  8.535452  8.535452    -0.063431    0.017968    0.158723
      2.845151  0.000000  2.845151     0.051066   -0.056374    0.068322
      8.535452  0.000000  2.845151     0.051066    0.058294    0.004492
      2.845151  5.690301  2.845151     0.005417   -0.056374   -0.004492
      8.535452  5.690301  2.845151     0.005417    0.058294   -0.068322
      2.845151  0.000000  8.535452    -0.005417   -0.058294    0.068322
      8.535452  0.000000  8.535452    -0.005417    0.056374    0.004492
      2.845151  5.690301  8.535452    -0.051066   -0.058294   -0.004492
      8.535452  5.690301  8.535452    -0.051066    0.056374   -0.068322
      2.845151  2.845151  0.000000     0.003285   -0.026058   -0.090407
      8.535452  2.845151  0.000000     0.003285    0.088609   -0.154236
      2.845151  8.535452  0.000000    -0.067095   -0.026058    0.154236
      8.535452  8.535452  0.000000    -0.067095    0.088609    0.090407
      2.845151  2.845151  5.690301     0.067095   -0.088609   -0.090407
      8.535452  2.845151  5.690301     0.067095    0.026058   -0.154236
      2.845151  8.535452  5.690301    -0.003285   -0.088609    0.154236
      8.535452  8.535452  5.690301    -0.003285    0.026058    0.090407
      2.845151  2.845151  2.845151     0.073136   -0.064999   -0.104239
      8.535452  2.845151  2.845151     0.073136    0.067212   -0.177834
      2.845151  8.535452  2.845151    -0.008012   -0.064999    0.177834
      8.535452  8.535452  2.845151    -0.008012    0.067212    0.104239
      2.845151  2.845151  8.535452     0.008012   -0.067212   -0.104239
      8.535452  2.845151  8.535452     0.008012    0.064999   -0.177834
      2.845151  8.535452  8.535452    -0.073136   -0.067212    0.177834
      8.535452  8.535452  8.535452    -0.073136    0.064999    0.104239
      2.845151  0.000000  0.000000    -0.010470   -0.030045    0.078775
      8.535452  0.000000  0.000000    -0.010470    0.102166    0.005180
      2.845151  5.690301  0.000000    -0.063103   -0.030045   -0.005180
      8.535452  5.690301  0.000000    -0.063103    0.102166   -0.078775
      2.845151  0.000000  5.690301     0.063103   -0.102166    0.078775
      8.535452  0.000000  5.690301     0.063103    0.030045    0.005180
      2.845151  5.690301  5.690301     0.010470   -0.102166   -0.005180
      8.535452  5.690301  5.690301     0.010470    0.030045   -0.078775
      0.000000  2.845151  0.000000     0.003787    0.014237   -0.183007
      5.690301  2.845151  0.000000     0.003787    0.057884   -0.099065
      0.000000  8.535452  0.000000    -0.077360    0.014237    0.099065
      5.690301  8.535452  0.000000    -0.077360    0.057884    0.183007
      0.000000  2.845151  5.690301     0.077360   -0.057884   -0.183007
      5.690301  2.845151  5.690301     0.077360   -0.014237   -0.099065
      0.000000  8.535452  5.690301    -0.003787   -0.057884    0.099065
      5.690301  8.535452  5.690301    -0.003787   -0.014237    0.183007
      0.000000  0.000000  2.845151     0.058878   -0.020717    0.000006
      5.690301  0.000000  2.845151     0.058878    0.022930    0.083948
      0.000000  5.690301  2.845151     0.006246   -0.020717   -0.083948
      5.690301  5.690301  2.845151     0.006246    0.022930   -0.000006
      0.000000  0.000000  8.535452    -0.006246   -0.022930    0.000006
      5.690301  0.000000  8.535452    -0.006246    0.020717    0.083948
      0.000000  5.690301  8.535452    -0.058878   -0.022930   -0.083948
      5.690301  5.690301  8.535452    -0.058878    0.020717   -0.000006

 189 f  =    1.809428 THz    11.368970 2PiTHz   60.356013 cm-1     7.483195 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.003879   -0.029388   -0.002924
      5.690301  0.000000  0.000000    -0.003879   -0.019334   -0.008016
      0.000000  5.690301  0.000000     0.037525   -0.029388    0.008016
      5.690301  5.690301  0.000000     0.037525   -0.019334    0.002924
      0.000000  0.000000  5.690301    -0.037525    0.019334   -0.002924
      5.690301  0.000000  5.690301    -0.037525    0.029388   -0.008016
      0.000000  5.690301  5.690301     0.003879    0.019334    0.008016
      5.690301  5.690301  5.690301     0.003879    0.029388    0.002924
      0.000000  2.845151  2.845151     0.085002   -0.106252    0.026391
      5.690301  2.845151  2.845151     0.085002   -0.096198    0.021298
      0.000000  8.535452  2.845151     0.131090   -0.106252   -0.021298
      5.690301  8.535452  2.845151     0.131090   -0.096198   -0.026391
      0.000000  2.845151  8.535452    -0.131090    0.096198    0.026391
      5.690301  2.845151  8.535452    -0.131090    0.106252    0.021298
      0.000000  8.535452  8.535452    -0.085002    0.096198   -0.021298
      5.690301  8.535452  8.535452    -0.085002    0.106252   -0.026391
      2.845151  0.000000  2.845151     0.087344   -0.124870    0.037947
      8.535452  0.000000  2.845151     0.087344   -0.077581   -0.048887
      2.845151  5.690301  2.845151     0.128748   -0.124870    0.048887
      8.535452  5.690301  2.845151     0.128748   -0.077581   -0.037947
      2.845151  0.000000  8.535452    -0.128748    0.077581    0.037947
      8.535452  0.000000  8.535452    -0.128748    0.124870   -0.048887
      2.845151  5.690301  8.535452    -0.087344    0.077581    0.048887
      8.535452  5.690301  8.535452    -0.087344    0.124870   -0.037947
      2.845151  2.845151  0.000000    -0.006221   -0.048006    0.067261
      8.535452  2.845151  0.000000    -0.006221   -0.000716   -0.019572
      2.845151  8.535452  0.000000     0.039868   -0.048006    0.019572
      8.535452  8.535452  0.000000     0.039868   -0.000716   -0.067261
      2.845151  2.845151  5.690301    -0.039868    0.000716    0.067261
      8.535452  2.845151  5.690301    -0.039868    0.048006   -0.019572
      2.845151  8.535452  5.690301     0.006221    0.000716    0.019572
      8.535452  8.535452  5.690301     0.006221    0.048006   -0.067261
      2.845151  2.845151  2.845151     0.098006   -0.143975    0.077552
      8.535452  2.845151  2.845151     0.098006   -0.089450   -0.022567
      2.845151  8.535452  2.845151     0.151147   -0.143975    0.022567
      8.535452  8.535452  2.845151     0.151147   -0.089450   -0.077552
      2.845151  2.845151  8.535452    -0.151147    0.089450    0.077552
      8.535452  2.845151  8.535452    -0.151147    0.143975   -0.022567
      2.845151  8.535452  8.535452    -0.098006    0.089450    0.022567
      8.535452  8.535452  8.535452    -0.098006    0.143975   -0.077552
      2.845151  0.000000  0.000000    -0.004473   -0.055351    0.043752
      8.535452  0.000000  0.000000    -0.004473   -0.000826   -0.056366
      2.845151  5.690301  0.000000     0.043267   -0.055351    0.056366
      8.535452  5.690301  0.000000     0.043267   -0.000826   -0.043752
      2.845151  0.000000  5.690301    -0.043267    0.000826    0.043752
      8.535452  0.000000  5.690301    -0.043267    0.055351   -0.056366
      2.845151  5.690301  5.690301     0.004473    0.000826    0.056366
      8.535452  5.690301  5.690301     0.004473    0.055351   -0.043752
      0.000000  2.845151  0.000000    -0.007173   -0.033885    0.030428
      5.690301  2.845151  0.000000    -0.007173   -0.022292    0.024557
      0.000000  8.535452  0.000000     0.045967   -0.033885   -0.024557
      5.690301  8.535452  0.000000     0.045967   -0.022292   -0.030428
      0.000000  2.845151  5.690301    -0.045967    0.022292    0.030428
      5.690301  2.845151  5.690301    -0.045967    0.033885    0.024557
      0.000000  8.535452  5.690301     0.007173    0.022292   -0.024557
      5.690301  8.535452  5.690301     0.007173    0.033885   -0.030428
      0.000000  0.000000  2.845151     0.100707   -0.122509   -0.003371
      5.690301  0.000000  2.845151     0.100707   -0.110916   -0.009243
      0.000000  5.690301  2.845151     0.148446   -0.122509    0.009243
      5.690301  5.690301  2.845151     0.148446   -0.110916    0.003371
      0.000000  0.000000  8.535452    -0.148446    0.110916   -0.003371
      5.690301  0.000000  8.535452    -0.148446    0.122509   -0.009243
      0.000000  5.690301  8.535452    -0.100707    0.110916    0.009243
      5.690301  5.690301  8.535452    -0.100707    0.122509    0.003371

 190 f/i=    0.028540 THz     0.179320 2PiTHz    0.951982 cm-1     0.118031 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.084054    0.010437   -0.072854
      5.690301  0.000000  0.000000     0.084054    0.010437   -0.072854
      0.000000  5.690301  0.000000     0.084054    0.010437   -0.072854
      5.690301  5.690301  0.000000     0.084054    0.010437   -0.072854
      0.000000  0.000000  5.690301     0.084054    0.010437   -0.072854
      5.690301  0.000000  5.690301     0.084054    0.010437   -0.072854
      0.000000  5.690301  5.690301     0.084054    0.010437   -0.072854
      5.690301  5.690301  5.690301     0.084054    0.010437   -0.072854
      0.000000  2.845151  2.845151     0.084054    0.010437   -0.072854
      5.690301  2.845151  2.845151     0.084054    0.010437   -0.072854
      0.000000  8.535452  2.845151     0.084054    0.010437   -0.072854
      5.690301  8.535452  2.845151     0.084054    0.010437   -0.072854
      0.000000  2.845151  8.535452     0.084054    0.010437   -0.072854
      5.690301  2.845151  8.535452     0.084054    0.010437   -0.072854
      0.000000  8.535452  8.535452     0.084054    0.010437   -0.072854
      5.690301  8.535452  8.535452     0.084054    0.010437   -0.072854
      2.845151  0.000000  2.845151     0.084054    0.010437   -0.072854
      8.535452  0.000000  2.845151     0.084054    0.010437   -0.072854
      2.845151  5.690301  2.845151     0.084054    0.010437   -0.072854
      8.535452  5.690301  2.845151     0.084054    0.010437   -0.072854
      2.845151  0.000000  8.535452     0.084054    0.010437   -0.072854
      8.535452  0.000000  8.535452     0.084054    0.010437   -0.072854
      2.845151  5.690301  8.535452     0.084054    0.010437   -0.072854
      8.535452  5.690301  8.535452     0.084054    0.010437   -0.072854
      2.845151  2.845151  0.000000     0.084054    0.010437   -0.072854
      8.535452  2.845151  0.000000     0.084054    0.010437   -0.072854
      2.845151  8.535452  0.000000     0.084054    0.010437   -0.072854
      8.535452  8.535452  0.000000     0.084054    0.010437   -0.072854
      2.845151  2.845151  5.690301     0.084054    0.010437   -0.072854
      8.535452  2.845151  5.690301     0.084054    0.010437   -0.072854
      2.845151  8.535452  5.690301     0.084054    0.010437   -0.072854
      8.535452  8.535452  5.690301     0.084054    0.010437   -0.072854
      2.845151  2.845151  2.845151     0.103071    0.012799   -0.089336
      8.535452  2.845151  2.845151     0.103071    0.012799   -0.089336
      2.845151  8.535452  2.845151     0.103071    0.012799   -0.089336
      8.535452  8.535452  2.845151     0.103071    0.012799   -0.089336
      2.845151  2.845151  8.535452     0.103071    0.012799   -0.089336
      8.535452  2.845151  8.535452     0.103071    0.012799   -0.089336
      2.845151  8.535452  8.535452     0.103071    0.012799   -0.089336
      8.535452  8.535452  8.535452     0.103071    0.012799   -0.089336
      2.845151  0.000000  0.000000     0.103071    0.012799   -0.089336
      8.535452  0.000000  0.000000     0.103071    0.012799   -0.089336
      2.845151  5.690301  0.000000     0.103071    0.012799   -0.089336
      8.535452  5.690301  0.000000     0.103071    0.012799   -0.089336
      2.845151  0.000000  5.690301     0.103071    0.012799   -0.089336
      8.535452  0.000000  5.690301     0.103071    0.012799   -0.089336
      2.845151  5.690301  5.690301     0.103071    0.012799   -0.089336
      8.535452  5.690301  5.690301     0.103071    0.012799   -0.089336
      0.000000  2.845151  0.000000     0.103071    0.012799   -0.089336
      5.690301  2.845151  0.000000     0.103071    0.012799   -0.089336
      0.000000  8.535452  0.000000     0.103071    0.012799   -0.089336
      5.690301  8.535452  0.000000     0.103071    0.012799   -0.089336
      0.000000  2.845151  5.690301     0.103071    0.012799   -0.089336
      5.690301  2.845151  5.690301     0.103071    0.012799   -0.089336
      0.000000  8.535452  5.690301     0.103071    0.012799   -0.089336
      5.690301  8.535452  5.690301     0.103071    0.012799   -0.089336
      0.000000  0.000000  2.845151     0.103071    0.012799   -0.089336
      5.690301  0.000000  2.845151     0.103071    0.012799   -0.089336
      0.000000  5.690301  2.845151     0.103071    0.012799   -0.089336
      5.690301  5.690301  2.845151     0.103071    0.012799   -0.089336
      0.000000  0.000000  8.535452     0.103071    0.012799   -0.089336
      5.690301  0.000000  8.535452     0.103071    0.012799   -0.089336
      0.000000  5.690301  8.535452     0.103071    0.012799   -0.089336
      5.690301  5.690301  8.535452     0.103071    0.012799   -0.089336

 191 f/i=    0.028540 THz     0.179320 2PiTHz    0.951982 cm-1     0.118031 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000    -0.059285   -0.055930   -0.076412
      5.690301  0.000000  0.000000    -0.059285   -0.055930   -0.076412
      0.000000  5.690301  0.000000    -0.059285   -0.055930   -0.076412
      5.690301  5.690301  0.000000    -0.059285   -0.055930   -0.076412
      0.000000  0.000000  5.690301    -0.059285   -0.055930   -0.076412
      5.690301  0.000000  5.690301    -0.059285   -0.055930   -0.076412
      0.000000  5.690301  5.690301    -0.059285   -0.055930   -0.076412
      5.690301  5.690301  5.690301    -0.059285   -0.055930   -0.076412
      0.000000  2.845151  2.845151    -0.059285   -0.055930   -0.076412
      5.690301  2.845151  2.845151    -0.059285   -0.055930   -0.076412
      0.000000  8.535452  2.845151    -0.059285   -0.055930   -0.076412
      5.690301  8.535452  2.845151    -0.059285   -0.055930   -0.076412
      0.000000  2.845151  8.535452    -0.059285   -0.055930   -0.076412
      5.690301  2.845151  8.535452    -0.059285   -0.055930   -0.076412
      0.000000  8.535452  8.535452    -0.059285   -0.055930   -0.076412
      5.690301  8.535452  8.535452    -0.059285   -0.055930   -0.076412
      2.845151  0.000000  2.845151    -0.059285   -0.055930   -0.076412
      8.535452  0.000000  2.845151    -0.059285   -0.055930   -0.076412
      2.845151  5.690301  2.845151    -0.059285   -0.055930   -0.076412
      8.535452  5.690301  2.845151    -0.059285   -0.055930   -0.076412
      2.845151  0.000000  8.535452    -0.059285   -0.055930   -0.076412
      8.535452  0.000000  8.535452    -0.059285   -0.055930   -0.076412
      2.845151  5.690301  8.535452    -0.059285   -0.055930   -0.076412
      8.535452  5.690301  8.535452    -0.059285   -0.055930   -0.076412
      2.845151  2.845151  0.000000    -0.059285   -0.055930   -0.076412
      8.535452  2.845151  0.000000    -0.059285   -0.055930   -0.076412
      2.845151  8.535452  0.000000    -0.059285   -0.055930   -0.076412
      8.535452  8.535452  0.000000    -0.059285   -0.055930   -0.076412
      2.845151  2.845151  5.690301    -0.059285   -0.055930   -0.076412
      8.535452  2.845151  5.690301    -0.059285   -0.055930   -0.076412
      2.845151  8.535452  5.690301    -0.059285   -0.055930   -0.076412
      8.535452  8.535452  5.690301    -0.059285   -0.055930   -0.076412
      2.845151  2.845151  2.845151    -0.072698   -0.068584   -0.093700
      8.535452  2.845151  2.845151    -0.072698   -0.068584   -0.093700
      2.845151  8.535452  2.845151    -0.072698   -0.068584   -0.093700
      8.535452  8.535452  2.845151    -0.072698   -0.068584   -0.093700
      2.845151  2.845151  8.535452    -0.072698   -0.068584   -0.093700
      8.535452  2.845151  8.535452    -0.072698   -0.068584   -0.093700
      2.845151  8.535452  8.535452    -0.072698   -0.068584   -0.093700
      8.535452  8.535452  8.535452    -0.072698   -0.068584   -0.093700
      2.845151  0.000000  0.000000    -0.072698   -0.068584   -0.093700
      8.535452  0.000000  0.000000    -0.072698   -0.068584   -0.093700
      2.845151  5.690301  0.000000    -0.072698   -0.068584   -0.093700
      8.535452  5.690301  0.000000    -0.072698   -0.068584   -0.093700
      2.845151  0.000000  5.690301    -0.072698   -0.068584   -0.093700
      8.535452  0.000000  5.690301    -0.072698   -0.068584   -0.093700
      2.845151  5.690301  5.690301    -0.072698   -0.068584   -0.093700
      8.535452  5.690301  5.690301    -0.072698   -0.068584   -0.093700
      0.000000  2.845151  0.000000    -0.072698   -0.068584   -0.093700
      5.690301  2.845151  0.000000    -0.072698   -0.068584   -0.093700
      0.000000  8.535452  0.000000    -0.072698   -0.068584   -0.093700
      5.690301  8.535452  0.000000    -0.072698   -0.068584   -0.093700
      0.000000  2.845151  5.690301    -0.072698   -0.068584   -0.093700
      5.690301  2.845151  5.690301    -0.072698   -0.068584   -0.093700
      0.000000  8.535452  5.690301    -0.072698   -0.068584   -0.093700
      5.690301  8.535452  5.690301    -0.072698   -0.068584   -0.093700
      0.000000  0.000000  2.845151    -0.072698   -0.068584   -0.093700
      5.690301  0.000000  2.845151    -0.072698   -0.068584   -0.093700
      0.000000  5.690301  2.845151    -0.072698   -0.068584   -0.093700
      5.690301  5.690301  2.845151    -0.072698   -0.068584   -0.093700
      0.000000  0.000000  8.535452    -0.072698   -0.068584   -0.093700
      5.690301  0.000000  8.535452    -0.072698   -0.068584   -0.093700
      0.000000  5.690301  8.535452    -0.072698   -0.068584   -0.093700
      5.690301  5.690301  8.535452    -0.072698   -0.068584   -0.093700

 192 f/i=    0.028540 THz     0.179320 2PiTHz    0.951982 cm-1     0.118031 meV
             X         Y         Z           dx          dy          dz
      0.000000  0.000000  0.000000     0.043611   -0.096149    0.036541
      5.690301  0.000000  0.000000     0.043611   -0.096149    0.036541
      0.000000  5.690301  0.000000     0.043611   -0.096149    0.036541
      5.690301  5.690301  0.000000     0.043611   -0.096149    0.036541
      0.000000  0.000000  5.690301     0.043611   -0.096149    0.036541
      5.690301  0.000000  5.690301     0.043611   -0.096149    0.036541
      0.000000  5.690301  5.690301     0.043611   -0.096149    0.036541
      5.690301  5.690301  5.690301     0.043611   -0.096149    0.036541
      0.000000  2.845151  2.845151     0.043611   -0.096149    0.036541
      5.690301  2.845151  2.845151     0.043611   -0.096149    0.036541
      0.000000  8.535452  2.845151     0.043611   -0.096149    0.036541
      5.690301  8.535452  2.845151     0.043611   -0.096149    0.036541
      0.000000  2.845151  8.535452     0.043611   -0.096149    0.036541
      5.690301  2.845151  8.535452     0.043611   -0.096149    0.036541
      0.000000  8.535452  8.535452     0.043611   -0.096149    0.036541
      5.690301  8.535452  8.535452     0.043611   -0.096149    0.036541
      2.845151  0.000000  2.845151     0.043611   -0.096149    0.036541
      8.535452  0.000000  2.845151     0.043611   -0.096149    0.036541
      2.845151  5.690301  2.845151     0.043611   -0.096149    0.036541
      8.535452  5.690301  2.845151     0.043611   -0.096149    0.036541
      2.845151  0.000000  8.535452     0.043611   -0.096149    0.036541
      8.535452  0.000000  8.535452     0.043611   -0.096149    0.036541
      2.845151  5.690301  8.535452     0.043611   -0.096149    0.036541
      8.535452  5.690301  8.535452     0.043611   -0.096149    0.036541
      2.845151  2.845151  0.000000     0.043611   -0.096149    0.036541
      8.535452  2.845151  0.000000     0.043611   -0.096149    0.036541
      2.845151  8.535452  0.000000     0.043611   -0.096149    0.036541
      8.535452  8.535452  0.000000     0.043611   -0.096149    0.036541
      2.845151  2.845151  5.690301     0.043611   -0.096149    0.036541
      8.535452  2.845151  5.690301     0.043611   -0.096149    0.036541
      2.845151  8.535452  5.690301     0.043611   -0.096149    0.036541
      8.535452  8.535452  5.690301     0.043611   -0.096149    0.036541
      2.845151  2.845151  2.845151     0.053478   -0.117901    0.044808
      8.535452  2.845151  2.845151     0.053478   -0.117901    0.044808
      2.845151  8.535452  2.845151     0.053478   -0.117901    0.044808
      8.535452  8.535452  2.845151     0.053478   -0.117901    0.044808
      2.845151  2.845151  8.535452     0.053478   -0.117901    0.044808
      8.535452  2.845151  8.535452     0.053478   -0.117901    0.044808
      2.845151  8.535452  8.535452     0.053478   -0.117901    0.044808
      8.535452  8.535452  8.535452     0.053478   -0.117901    0.044808
      2.845151  0.000000  0.000000     0.053478   -0.117901    0.044808
      8.535452  0.000000  0.000000     0.053478   -0.117901    0.044808
      2.845151  5.690301  0.000000     0.053478   -0.117901    0.044808
      8.535452  5.690301  0.000000     0.053478   -0.117901    0.044808
      2.845151  0.000000  5.690301     0.053478   -0.117901    0.044808
      8.535452  0.000000  5.690301     0.053478   -0.117901    0.044808
      2.845151  5.690301  5.690301     0.053478   -0.117901    0.044808
      8.535452  5.690301  5.690301     0.053478   -0.117901    0.044808
      0.000000  2.845151  0.000000     0.053478   -0.117901    0.044808
      5.690301  2.845151  0.000000     0.053478   -0.117901    0.044808
      0.000000  8.535452  0.000000     0.053478   -0.117901    0.044808
      5.690301  8.535452  0.000000     0.053478   -0.117901    0.044808
      0.000000  2.845151  5.690301     0.053478   -0.117901    0.044808
      5.690301  2.845151  5.690301     0.053478   -0.117901    0.044808
      0.000000  8.535452  5.690301     0.053478   -0.117901    0.044808
      5.690301  8.535452  5.690301     0.053478   -0.117901    0.044808
      0.000000  0.000000  2.845151     0.053478   -0.117901    0.044808
      5.690301  0.000000  2.845151     0.053478   -0.117901    0.044808
      0.000000  5.690301  2.845151     0.053478   -0.117901    0.044808
      5.690301  5.690301  2.845151     0.053478   -0.117901    0.044808
      0.000000  0.000000  8.535452     0.053478   -0.117901    0.044808
      5.690301  0.000000  8.535452     0.053478   -0.117901    0.044808
      0.000000  5.690301  8.535452     0.053478   -0.117901    0.044808
      5.690301  5.690301  8.535452     0.053478   -0.117901    0.044808



--------------------------------------------------------------------------------------------------------



 ELASTIC MODULI IONIC CONTR (kBar)
 Direction    XX          YY          ZZ          XY          YZ          ZX
 --------------------------------------------------------------------------------
 XX           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 YY           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 ZZ           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 XY           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 YZ           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 ZX           0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
 --------------------------------------------------------------------------------



--------------------------------------------------------------------------------------------------------


     LOOP+:  cpu time  831.14: real time  834.64
    4ORBIT:  cpu time    0.00: real time    0.00

 total amount of memory used by VASP on root node   124982. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :      20072. kBytes
   fftplans  :      39562. kBytes
   grid      :      25395. kBytes
   one-center:        196. kBytes
   wavefun   :       9757. kBytes



 General timing and accounting informations for this job:
 ========================================================

                  Total CPU time used (sec):      836.740
                            User time (sec):      614.120
                          System time (sec):      222.620
                         Elapsed time (sec):      842.903

                   Maximum memory used (kb):      299276.
                   Average memory used (kb):           0.

                          Minor page faults:       115043
                          Major page faults:           29
                 Voluntary context switches:          785
