# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# acv2z-J version number 1
# Description: acv2z-J basis for indirect nuclear spin-spin coupling
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  Se,Te
#      acv2z-J basis for indirect nuclear spin-spin coupling
#          rusakov2019a
# 
# 
# 
# rusakov2019a
#     Rusakov, Yury Yu., Rusakova, Irina L.
#     Hierarchical Basis Sets for the Calculation of Nuclear Magnetic
#             Resonance Spin-Spin Coupling Constants Involving Either
#             Selenium or Tellurium Nuclei
#     J. Phys. Chem. A 123, 6564-6571 (2019)
#     10.1021/acs.jpca.9b05276
# 
# # 
basis "Se_acv2z-J" SPHERICAL 
#basis SET: (29s,18p,8d,4f) -> [11s,8p,5d,4f]
Se    S
      2.080442E+09           6.7143E-09
      2.460557E+08           1.1502E-07
      2.910123E+07           1.3187E-06
      3.441828E+06           0.00002361
      4.070681E+05           0.00026523
      7.772448E+04           0.00171343
      1.924261E+04           0.00837354
      5.650247E+03           0.03330458
      1.874253E+03           0.10793897
      6.816311E+02           0.26873344
Se    S
      2.080442E+09          -2.3282E-10
      2.460557E+08          -3.9833E-09
      2.910123E+07          -4.5725E-08
      3.441828E+06          -8.1776E-07
      4.070681E+05          -9.1998E-06
      7.772448E+04          -0.00005943
      1.924261E+04          -0.00029275
      5.650247E+03          -0.00118317
      1.874253E+03          -0.00405507
      6.816311E+02          -0.01146046
Se    S
      2.666089E+02           1.00000000
Se    S
      1.095228E+02           1.00000000
Se    S
      3.503469E+01           1.00000000
Se    S
      1.491307E+01           1.00000000
Se    S
      4.537617E+00           1.00000000
Se    S
      1.937620E+00           1.00000000
Se    S
      3.718203E-01           1.00000000
Se    S
      1.407214E-01           1.00000000
Se    S
      4.927838E-02           1.00000000
Se    P
      7.414698E+03           0.00058638
      1.453551E+03           0.00676538
      4.264080E+02           0.04043080
      1.514227E+02           0.15522220
      5.988866E+01           0.36713732
      2.517736E+01           0.44150493
Se    P
      7.414698E+03           0.00004649
      1.453551E+03           0.00053315
      4.264080E+02           0.00328767
      1.514227E+02           0.01301085
      5.988866E+01           0.03372826
      2.517736E+01           0.04066239
Se    P
      1.070126E+01           1.00000000
Se    P
      4.423195E+00           1.00000000
Se    P
      1.770202E+00           1.00000000
Se    P
      4.283962E-01           1.00000000
Se    P
      1.275402E-01           1.00000000
Se    P
      3.526577E-02           1.00000000
Se    D
      1.848098E+02           0.00638778
      5.431913E+01           0.04702498
      1.986197E+01           0.17388162
      7.964426E+00           0.35861036
Se    D
      3.204297E+00           1.00000000
Se    D
      1.231911E+00           1.00000000
Se    D
      3.657209E-01           1.00000000
Se    D
      1.283044E-01           1.00000000
Se    F
      2.430596E+01           1.00000000
Se    F
      6.053260E+00           1.00000000
Se    F
      1.507529E+00           1.00000000
Se    F
      3.754415E-01           1.00000000
end
basis "Te_acv2z-J" SPHERICAL 
#basis SET: (36s,24p,18d,5f) -> [14s,10p,8d,5f]
Te    S
      1.360735E+09           3.4110E-08
      2.504252E+08           2.1233E-07
      4.608764E+07           2.0455E-06
      8.481855E+06           1.4485E-05
      2.029353E+06           7.5863E-05
      5.606499E+05           0.00034400
      1.734236E+05           0.00136477
      5.868658E+04           0.00486893
      2.140643E+04           0.01571554
      8.317651E+03           0.04580870
      3.410268E+03           0.11715511
      1.463399E+03           0.24603935
Te    S
      1.360735E+09          -6.8168E-10
      2.504252E+08          -4.2607E-09
      4.608764E+07          -4.0878E-08
      8.481855E+06          -2.9058E-07
      2.029353E+06          -1.5154E-06
      5.606499E+05          -6.9096E-06
      1.734236E+05          -2.7296E-05
      5.868658E+04          -9.8429E-05
      2.140643E+04          -0.00031885
      8.317651E+03          -0.00096294
      3.410268E+03          -0.00259654
      1.463399E+03          -0.00633036
Te    S
      6.523630E+02           1.00000000
Te    S
      2.983840E+02           1.00000000
Te    S
      1.302895E+02           1.00000000
Te    S
      6.430513E+01           1.00000000
Te    S
      3.168296E+01           1.00000000
Te    S
      1.355352E+01           1.00000000
Te    S
      6.804307E+00           1.00000000
Te    S
      2.593301E+00           1.00000000
Te    S
      1.206606E+00           1.00000000
Te    S
      2.840560E-01           1.00000000
Te    S
      1.098309E-01           1.00000000
Te    S
      3.869454E-02           1.00000000
Te    P
      2.264680E+05           8.2026E-06
      3.359914E+04           0.00016793
      7.728034E+03           0.00172431
      2.318402E+03           0.01119858
      8.268245E+02           0.05112998
      3.308006E+02           0.16676984
      1.427568E+02           0.35703637
      6.478391E+01           0.41001018
Te    P
      2.264680E+05          -3.7666E-07
      3.359914E+04          -7.6680E-06
      7.728034E+03          -7.9426E-05
      2.318402E+03          -0.00051909
      8.268245E+02          -0.00244522
      3.308006E+02          -0.00839950
      1.427568E+02          -0.01982036
      6.478391E+01          -0.02281284
Te    P
      2.979706E+01           1.00000000
Te    P
      1.389695E+01           1.00000000
Te    P
      6.641346E+00           1.00000000
Te    P
      2.784493E+00           1.00000000
Te    P
      1.178476E+00           1.00000000
Te    P
      3.064949E-01           1.00000000
Te    P
      9.817468E-02           1.00000000
Te    P
      2.816225E-02           1.00000000
Te    D
      1.648726E+03          -0.00026022
      4.690353E+02          -0.00277691
      1.763898E+02          -0.01543684
      7.544430E+01          -0.05562582
      3.473559E+01          -0.12384132
      1.651106E+01          -0.16225774
Te    D
      1.648726E+03           0.00065446
      4.690353E+02           0.00686286
      1.763898E+02           0.03819674
      7.544430E+01           0.13384757
      3.473559E+01           0.30015328
      1.651106E+01           0.41003662
Te    D
      8.001417E+00           1.00000000
Te    D
      3.747704E+00           1.00000000
Te    D
      1.696714E+00           1.00000000
Te    D
      7.273509E-01           1.00000000
Te    D
      2.593541E-01           1.00000000
Te    D
      1.003875E-01           1.00000000
Te    F
      1.318977E+01           1.00000000
Te    F
      5.673080E+00           1.00000000
Te    F
      2.440061E+00           1.00000000
Te    F
      1.049499E+00           1.00000000
Te    F
      0.4514018              1.00000000
end
