#  aug-cc-pwCV5Z-DK  EMSL  Basis Set Exchange Library  3/15/13 10:18 AM
# Elements                             References
# --------                             ----------
# Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys., accepted (2005).
# 


# Elements                             References
# --------                             ----------
# H    :  T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
# Diffuse s exponent - S. Mielke
# He   :  D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
# B - F:  R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96,
# 6796 (1992).
# Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
# Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys, 123, 064107 (2005)
# 



basis "Sc_aug-cc-pwCV5Z-DK" SPHERICAL
Sc    S
      1.19495E+08            5.919535E-06          -3.393072E-06           6.682412E-07          -1.614274E-07           2.812987E-07          -4.312322E-07          -4.876401E-07           7.519349E-07     
      2.14992E+07            1.431359E-05          -8.205121E-06           1.616043E-06          -3.903897E-07           6.804514E-07          -1.043095E-06          -1.177921E-06           1.820755E-06     
      4.80703E+06            4.104556E-05          -2.353144E-05           4.635062E-06          -1.119695E-06           1.950692E-06          -2.990538E-06          -3.38614E-06            5.209344E-06     
      1.28440E+06            9.797419E-05          -5.618118E-05           1.106844E-05          -2.673836E-06           4.662709E-06          -7.147204E-06          -8.050139E-06           1.250064E-05     
 396595.0000000              0.0002223775          -0.0001275595           2.513795E-05          -6.072575E-06           1.056941E-05          -1.620618E-05          -1.844652E-05           2.812046E-05     
 137575.0000000              0.0004796213          -0.0002752891           5.42814E-05           -1.311331E-05           2.290727E-05          -3.510428E-05          -3.916005E-05           6.183087E-05     
  52366.8000000              0.001020521           -0.0005862466           0.0001156787          -2.794401E-05           4.849852E-05          -7.439904E-05          -8.601642E-05           0.0001276431     
  21454.9000000              0.002175114           -0.001251553            0.0002473236          -5.975343E-05           0.0001048147          -0.0001605264          -0.0001749806           0.0002872        
   9316.0600000              0.004713698           -0.002718589            0.0005382997          -0.0001300308           0.000224504           -0.00034471            -0.0004098121           0.0005798599     
   4235.4000000              0.01036927            -0.006008769            0.001194793           -0.0002887116           0.0005093451          -0.0007794742          -0.000822644            0.001423352      
   1997.4400000              0.02281143            -0.01332407             0.002667407           -0.0006443642           0.001106294           -0.001700679           -0.002082943            0.002800518      
    970.4300000              0.04868009            -0.02890036             0.005866852           -0.001418217            0.002516249           -0.003848994           -0.003935527            0.007178441      
    483.2710000              0.09694442            -0.05930942             0.01233989            -0.002982216            0.005091015           -0.007841304           -0.009907611            0.01264813       
    245.8060000              0.1706005             -0.1107930              0.02414443            -0.005843726            0.01045914            -0.01600342            -0.01561908             0.03086293       
    127.3600000              0.2430080             -0.1770984              0.04178974            -0.01011922             0.0170637             -0.02642693            -0.03578066             0.04074745       
     67.0788000              0.2384914             -0.2162084              0.05780505            -0.01406049             0.02597877            -0.0397741             -0.0322496              0.08547422       
     35.8371000              0.1288846             -0.1469435              0.04408753            -0.01073321             0.01587703            -0.02549301            -0.05745036             0.01756683       
     19.3713000              0.05207441             0.0639645             -0.03163457             0.007697945           -0.007290353            0.0129649              0.06918013             0.03153591       
     10.5571000              0.08763543             0.3580420             -0.1852648              0.04671812            -0.09570927             0.1497257              0.06434433            -0.4357717        
      5.7724900              0.1099903              0.4634064             -0.3507145              0.09236543            -0.1484969              0.2670537              0.5933674             -0.5492452        
      3.1454000              0.05080978             0.2146780             -0.2250703              0.0606934             -0.1520052              0.2379641             -0.1545044             -0.4585412        
      1.6924900              0.006520852            0.02748374             0.2361473             -0.07517223             0.2384846             -0.5490284             -0.3050918              4.1915080        
      0.8886490              0.0003956125           0.0005229658           0.5771120             -0.1934620              0.3501435             -1.0568440             -2.9817180             -2.5292380        
      0.4710930             -6.181459E-05          -0.0009373147           0.3995942             -0.2389696              0.7548168             -0.1164882              4.9770390             -5.4200720        
      0.2492860              1.254106E-05          -0.0001398211           0.08198503            -0.1062082             -0.8094605              2.7444610             -1.0825320              9.3856740        
      0.0999880             -4.361028E-06          -1.123025E-05           0.003786216            0.3515695             -1.4805040             -1.4562880             -4.2115770             -8.5529250        
      0.0463690              1.0567E-05             3.671184E-05           0.00181512             0.6241271              0.7689142             -1.5228980              5.6433950              6.2316380        
Sc    S
      0.0216060              1.0000000        
Sc    S
      4.3955000              1.0000000        
Sc    S
      1.1564000              1.0000000        
Sc    S
      0.0100700              1.0000000        
Sc    P
  55070.5000000              0.0000140             -0.0000050             -0.0000010              0.0000010              0.0000030             -0.0000030             -0.0000050        
  13741.7000000              0.0000480             -0.0000160             -0.0000040              0.0000050              0.0000090             -0.0000120             -0.0000160        
   4365.4000000              0.0002020             -0.0000660             -0.0000160              0.0000200              0.0000410             -0.0000410             -0.0000700        
   1642.2600000              0.0007550             -0.0002480             -0.0000600              0.0000740              0.0001420             -0.0002080             -0.0002610        
    694.0660000              0.0026780             -0.0008820             -0.0002160              0.0002620              0.0005460             -0.0005200             -0.0009290        
    317.7420000              0.0085560             -0.0028300             -0.0006880              0.0008430              0.0016140             -0.0024110             -0.0029870        
    153.8990000              0.0245140             -0.0081890             -0.0020050              0.0024310              0.0050860             -0.0047120             -0.0086890        
     77.7665000              0.0617000             -0.0209720             -0.0051070              0.0062550              0.0118990             -0.0181750             -0.0225240        
     40.6736000              0.1309760             -0.0457600             -0.0112560              0.0136160              0.0287890             -0.0243790             -0.0494670        
     21.9061000              0.2216990             -0.0797890             -0.0194870              0.0239330              0.0441380             -0.0766640             -0.0860160        
     12.0795000              0.2929820             -0.1104030             -0.0275520              0.0330500              0.0761020             -0.0436370             -0.1162080        
      6.7534900              0.2755820             -0.1073290             -0.0261990              0.0328270              0.0560570             -0.1925250             -0.1761440        
      3.7632100              0.1467940              0.0005330              0.0018280             -0.0025620              0.0243250              0.1326390              0.0102780        
      2.0497300              0.0316730              0.2185950              0.0650400             -0.0748050             -0.2171150              0.1135500              1.2619260        
      1.0864500              0.0001230              0.3923630              0.1153720             -0.1376450             -0.3703350              1.3669040              0.2599850        
      0.5640870             -0.0016080              0.3629300              0.1375210             -0.1704280             -0.4435200             -1.5617250             -3.7739520        
      0.2810200             -0.0008200              0.1490230             -0.0077520             -0.0478640              1.2379380             -0.8936100              4.5043640        
      0.1214320             -0.0000640              0.0150900             -0.3617510              0.5835210              0.4129960              2.2910790             -2.6297080        
      0.0533450             -0.0000110              0.0005720             -0.5419820              0.5151680             -0.9400080             -1.2338460              0.5247230        
Sc    P
      0.0231430              1.0000000        
Sc    P
      5.1300000              1.0000000        
Sc    P
      1.2315000              1.0000000        
Sc    P
      0.0100400              1.0000000        
Sc    D
    206.8490000              0.0002450             -0.0002520             -0.0003270             -0.0004720             -0.0005390        
     60.9977000              0.0021780             -0.0022360             -0.0028490             -0.0038040             -0.0068390        
     23.3085000              0.0108150             -0.0111280             -0.0145650             -0.0209510             -0.0259800        
      9.9288100              0.0355520             -0.0368300             -0.0472320             -0.0644210             -0.1209740        
      4.4867000              0.0918530             -0.0965200             -0.1264930             -0.1927550             -0.2394840        
      2.1263200              0.1773870             -0.1818110             -0.2349220             -0.3074170             -0.6282700        
      1.0200800              0.2535140             -0.2453530             -0.2844630             -0.2835280              0.9521130        
      0.4853730              0.2911880             -0.2113190              0.0738220              1.0750720              0.6713530        
      0.2271980              0.2739590              0.0933260              0.7433150              0.0383790             -2.1441440        
      0.1042040              0.1939380              0.4634600              0.1237380             -1.2564750              1.9275440        
      0.0468350              0.0750160              0.3871780             -0.6748410              0.7662620             -0.6275630        
Sc    D
      0.0202590              1.0000000        
Sc    D
      2.6491000              1.0000000        
Sc    D
      1.4102000              1.0000000        
Sc    D
      0.0087600              1.0000000        
Sc    F
      3.5989000              1.0000000        
Sc    F
      1.5145000              1.0000000        
Sc    F
      0.6373000              1.0000000        
Sc    F
      0.2682000              1.0000000        
Sc    F
      0.0809000              1.0000000        
Sc    F
      0.0244000              1.0000000        
Sc    G
      3.1618000              1.0000000        
Sc    G
      1.3736000              1.0000000        
Sc    G
      0.5968000              1.0000000        
Sc    G
      0.1711000              1.0000000        
Sc    G
      0.0490500              1.0000000        
Sc    H
      2.9441000              1.0000000        
Sc    H
      1.1635000              1.0000000        
Sc    H
      0.3290000              1.0000000        
Sc    H
      0.0930300              1.0000000        
Sc    I
      3.1150000              1.0000000        
Sc    I
      1.1682000              1.0000000        
Sc    I
      0.4381000              1.0000000        
end
basis "Ti_aug-cc-pwCV5Z-DK" SPHERICAL
Ti    S
      1.22647E+08            6.653555E-06          -3.777645E-06           7.674459E-07          -1.819398E-07           3.399465E-07          -5.165097E-07          -6.130654E-07          -8.549962E-07     
      2.19562E+07            1.613946E-05          -9.164102E-06           1.861863E-06          -4.41398E-07            8.247278E-07          -1.252882E-06          -1.486934E-06          -2.079199E-06     
      4.90233E+06            4.614898E-05          -2.620684E-05           5.324913E-06          -1.262383E-06           2.358728E-06          -3.58436E-06           -4.254847E-06          -5.919144E-06     
      1.31060E+06            0.0001098321          -6.238605E-05           1.2679E-05            -3.005895E-06           5.616301E-06          -8.529531E-06          -1.0121E-05            -1.422274E-05     
 405228.0000000              0.0002484956          -0.0001412011           2.870495E-05          -6.805029E-06           1.271542E-05          -1.933437E-05          -2.296105E-05          -3.162293E-05     
 140757.0000000              0.0005342847          -0.0003037954           6.179898E-05          -1.465182E-05           2.737492E-05          -4.152977E-05          -4.924078E-05          -7.045952E-05     
  53625.1000000              0.001133562           -0.0006451652           0.0001313324          -3.113348E-05           5.817942E-05          -8.86271E-05           -0.0001053951          -0.0001407958     
  21976.2000000              0.0024093             -0.001373651            0.000280105           -6.641746E-05           0.0001240819          -0.0001877584          -0.0002221924          -0.0003314919     
   9539.6000000              0.005206248           -0.002976146            0.0006080523          -0.0001441365           0.0002693998          -0.0004117762          -0.0004909744          -0.0006194799     
   4334.3700000              0.01141582            -0.006559216            0.001346488           -0.000319341            0.000596555           -0.0008995392          -0.001061652           -0.001674815      
   2042.8900000              0.02500563            -0.01449461             0.002996038           -0.0007102401           0.001327899           -0.00203764            -0.002437073           -0.002880831      
    992.3080000              0.05299834            -0.03126791             0.006562148           -0.001557001            0.00290901            -0.004372593           -0.005148493           -0.008576546      
    494.4460000              0.1043003             -0.06359677             0.01369205            -0.003247483            0.006076074           -0.009371418           -0.01125485            -0.01234665       
    251.9070000              0.1799215             -0.1170675              0.02648196            -0.006292418            0.01176603            -0.01761793            -0.02070111            -0.03746245       
    130.9050000              0.2478886             -0.1828196              0.0448890             -0.01067067             0.02001317            -0.03127669            -0.03801176            -0.03433454       
     69.2368000              0.2308955             -0.2142700              0.05976643            -0.01428281             0.02677974            -0.0394600             -0.0460026             -0.1097497        
     37.1847000              0.1171295             -0.1312221              0.04031555            -0.009632094            0.01826065            -0.03164837            -0.04154012             0.03447519       
     20.2157000              0.05130277             0.09218944            -0.0441235              0.0105720             -0.02007811             0.03808886             0.0487637             -0.1133770        
     11.0765000              0.09090767             0.3859538             -0.2114728              0.05267722            -0.1014260              0.1502097              0.1925955              0.6927722        
      6.0786700              0.1038986              0.4515632             -0.3640708              0.09469896            -0.1911626              0.3568484              0.5435896              0.3005719        
      3.3127700              0.04277212             0.1862977             -0.1847230              0.04838713            -0.09195848             0.09579577            -0.05407633             0.4990677        
      1.7725000              0.004698514            0.02023129             0.3081164             -0.09536682             0.2382647             -0.5931501             -1.3033880             -5.4080910        
      0.9173780              0.0002635682          -6.633534E-05           0.6066013             -0.2116255              0.5877260             -1.4029870             -1.3684980              7.0117810        
      0.4692830             -6.454181E-05          -0.0008927498           0.3468082             -0.2381936              0.3656232              1.2948550              4.8530280             -1.6041680        
      0.2192670              1.082874E-05          -6.197787E-05           0.04058903            -0.05246589            -0.9952926              2.1050350             -3.2762980             -5.4763320        
      0.1058110              8.421612E-08           1.790704E-05          -0.000391043            0.3869866             -1.0629930             -2.3454890             -1.5668410              8.3958070        
      0.0484430              1.563308E-05           5.846808E-05           0.002501968            0.6037621              0.7767954             -0.6659030              4.2040350             -6.4227320        
Ti    S
      0.0225350              1.0000000        
Ti    S
      4.2553000              1.0000000        
Ti    S
      1.2538000              1.0000000        
Ti    S
      0.0104800              1.0000000        
Ti    P
  59284.9000000              0.0000160             -0.0000050              0.0000010              0.0000020              0.0000030              0.0000040             -0.0000060        
  14323.6000000              0.0000550             -0.0000180              0.0000040              0.0000060              0.0000110              0.0000150             -0.0000180        
   4537.2200000              0.0002280             -0.0000760              0.0000180              0.0000230              0.0000460              0.0000510             -0.0000810        
   1726.5400000              0.0008230             -0.0002760              0.0000660              0.0000830              0.0001590              0.0002320             -0.0002690        
    741.0750000              0.0028250             -0.0009510              0.0002290              0.0002880              0.0005830              0.0006090             -0.0010210        
    343.8070000              0.0088340             -0.0029880              0.0007140              0.0008990              0.0017100              0.0025490             -0.0028930        
    167.8840000              0.0251330             -0.0085890              0.0020690              0.0026000              0.0052750              0.0054260             -0.0093000        
     85.0394000              0.0634540             -0.0220780              0.0052890              0.0066510              0.0126190              0.0189510             -0.0215640        
     44.3829000              0.1354900             -0.0485130              0.0117380              0.0147430              0.0300870              0.0294070             -0.0538970        
     23.7928000              0.2297170             -0.0848740              0.0203950              0.0256560              0.0478170              0.0786330             -0.0809110        
     13.0536000              0.3000430             -0.1165050              0.0286140              0.0359060              0.0780840              0.0601470             -0.1385590        
      7.2687200              0.2708810             -0.1060460              0.0253940              0.0320880              0.0572690              0.1842020             -0.1746190        
      4.0380500              0.1339910              0.0208230             -0.0070940             -0.0081700              0.0042350             -0.1207450              0.0897820        
      2.1929400              0.0256630              0.2474250             -0.0720970             -0.0887810             -0.2405920             -0.3032660              1.4800170        
      1.1616200             -0.0004750              0.4015100             -0.1181340             -0.1438960             -0.3988240             -1.2402470             -0.5900780        
      0.6032500             -0.0015650              0.3401570             -0.1292760             -0.1737260             -0.3071790              1.9464230             -2.8885950        
      0.3001740             -0.0006970              0.1258060              0.0315740              0.0151180              1.2623310              0.3010090              4.2554030        
      0.1301310             -0.0000450              0.0112720              0.3785710              0.6060130              0.2556860             -1.9812890             -2.8758510        
      0.0572230             -0.0000100              0.0006720              0.5269710              0.4639250             -0.8992420              1.1972360              0.8101380        
Ti    P
      0.0249100              1.0000000        
Ti    P
      5.7813000              1.0000000        
Ti    P
      1.6500000              1.0000000        
Ti    P
      0.0108400              1.0000000        
Ti    D
    261.2460000              0.0002210             -0.0002250             -0.0003590              0.0004330              0.0005540        
     77.4454000              0.0019730             -0.0020120             -0.0031940              0.0036220              0.0061940        
     29.6879000              0.0101400             -0.0103650             -0.0167290              0.0201220              0.0274000        
     12.7642000              0.0343140             -0.0353510             -0.0574460              0.0664280              0.1196640        
      5.8299200              0.0898200             -0.0943990             -0.1579450              0.2041410              0.2918240        
      2.7978300              0.1779610             -0.1831950             -0.2878870              0.3220550              0.5157480        
      1.3638300              0.2593050             -0.2438690             -0.2743220              0.1271500             -0.9398630        
      0.6600370              0.2967420             -0.1915460              0.1968330             -0.9939100             -0.5732200        
      0.3136990              0.2697420              0.1086070              0.6962870              0.0726930              1.9949630        
      0.1449780              0.1799180              0.4574300              0.0262030              1.1603820             -1.6489450        
      0.0647720              0.0669950              0.3913590             -0.6014690             -0.6995170              0.2848740        
Ti    D
      0.0273760              1.0000000        
Ti    D
      3.4534000              1.0000000        
Ti    D
      1.9445000              1.0000000        
Ti    D
      0.0115700              1.0000000        
Ti    F
      5.0709000              1.0000000        
Ti    F
      2.1837000              1.0000000        
Ti    F
      0.9404000              1.0000000        
Ti    F
      0.4049000              1.0000000        
Ti    F
      0.1277000              1.0000000        
Ti    F
      0.0402700              1.0000000        
Ti    G
      4.0100000              1.0000000        
Ti    G
      1.8192000              1.0000000        
Ti    G
      0.8254000              1.0000000        
Ti    G
      0.2544000              1.0000000        
Ti    G
      0.0784100              1.0000000        
Ti    H
      3.6168000              1.0000000        
Ti    H
      1.5432000              1.0000000        
Ti    H
      0.5044000              1.0000000        
Ti    H
      0.1648600              1.0000000        
Ti    I
      3.1547000              1.0000000        
Ti    I
      0.9864000              1.0000000        
Ti    I
      0.3084200              1.0000000        
end
basis "V_aug-cc-pwCV5Z-DK" SPHERICAL
V    S
      1.28349E+08            7.356705E-06          -4.077497E-06           8.603915E-07          -2.00208E-07           -3.901614E-07          -5.943749E-07          -7.289808E-07          -9.534105E-07     
      2.29044E+07            1.786824E-05          -9.904408E-06           2.090087E-06          -4.863529E-07          -9.475826E-07          -1.443354E-06          -1.771972E-06          -2.320734E-06     
      5.10777E+06            5.098889E-05          -2.826701E-05           5.965628E-06          -1.388165E-06          -2.70579E-06           -4.122573E-06          -5.05166E-06           -6.598483E-06     
      1.36528E+06            0.000121072           -6.713697E-05           1.417245E-05          -3.297899E-06          -6.422846E-06          -9.780822E-06          -1.202932E-05          -1.579531E-05     
 422228.0000000              0.0002732114          -0.0001515645           3.200385E-05          -7.447067E-06          -1.452788E-05          -2.214671E-05          -2.704018E-05          -3.513656E-05     
 146685.0000000              0.0005857547          -0.00032518             6.871208E-05          -1.59897E-05           -3.109393E-05          -4.730618E-05          -5.856786E-05          -7.763263E-05     
  55872.3000000              0.001239105           -0.0006886285           0.0001456091          -3.388204E-05          -6.626421E-05          -0.0001011766          -0.0001222068          -0.0001562748     
  22881.3000000              0.002625599           -0.00146189             0.0003096893          -7.20715E-05           -0.0001396479          -0.000211986           -0.0002665839          -0.0003611841     
   9920.4500000              0.00565687            -0.00315893             0.0006704643          -0.0001560162          -0.0003065372          -0.0004694133          -0.0005559679          -0.0006895381     
   4499.9200000              0.01237143            -0.006946262            0.001481838           -0.0003449014          -0.000664949           -0.001006324           -0.001293282           -0.001804534      
   2116.7500000              0.02703115            -0.01532505             0.003291939           -0.0007661694          -0.00151327            -0.00232522            -0.002695009           -0.003226883      
   1026.0600000              0.05709522            -0.03299103             0.007201054           -0.00167669            -0.003216756           -0.004855172           -0.006381528           -0.009168809      
    510.2570000              0.1115932             -0.06684496             0.01497543            -0.003487904           -0.006933933           -0.01070394            -0.01210982            -0.01391968       
    259.5320000              0.1898393             -0.1220202              0.0287821             -0.006711267           -0.01278132            -0.01923086            -0.02625689            -0.03951576       
    134.7090000              0.2543687             -0.1873822              0.04804314            -0.0112217             -0.02268481            -0.03545813            -0.03787767            -0.03886446       
     71.2104000              0.2252741             -0.2113255              0.06159329            -0.01444379            -0.02661842            -0.03942564            -0.06283789            -0.1101614        
     38.2496000              0.1067044             -0.1130379              0.03536191            -0.00833094            -0.02007282            -0.03445506            -0.01409767             0.03633212       
     20.8102000              0.0511901              0.1277586             -0.06073828             0.0144271              0.03592281             0.06260601             0.01527717            -0.08353228       
     11.4158000              0.09230865             0.4186041             -0.2436103              0.05982672             0.1069343              0.1646280              0.3657945              0.7752076        
      6.2730200              0.09330965             0.4309142             -0.3702706              0.09540397             0.2278498              0.4190186              0.4139635              0.3636147        
      3.4217700              0.03315559             0.1532117             -0.1271151              0.03117879             0.01379761            -0.05135443             0.003465761           -0.2488450        
      1.8304400              0.003087216            0.0139112              0.3751019             -0.1132242             -0.2372538             -0.6890882             -2.1710400             -4.9880880        
      0.9452350              0.0001488484          -0.0005845882           0.6053597             -0.2210081             -0.7484825             -1.4265880              0.5191237              8.8278190        
      0.4759280             -5.731104E-05          -0.0007972901           0.2921984             -0.2196576              0.02202189             2.1578180              3.3917220             -5.6118930        
      0.1863810              5.722118E-06          -5.538211E-05           0.02433509             0.0003626926           1.2833500              1.5272650             -4.9828040             -1.7489600        
      0.1067680              7.095741E-06           6.572664E-05          -0.004127538            0.4068028              0.4625684             -2.8478340              1.6527780              6.6204950        
      0.0499790              1.841164E-05           7.19369E-05            0.003018388            0.5697882             -0.7206233             -0.04977937             2.6936830             -6.0660540        
V    S
      0.0235010              1.0000000        
V    S
      4.6742000              1.0000000        
V    S
      1.4892000              1.0000000        
V    S
      0.0110500              1.0000000        
V    P
  67602.1000000              0.0000170             -0.0000060              0.0000010              0.0000020              0.0000040             -0.0000040             -0.0000060        
  16330.1000000              0.0000560             -0.0000190              0.0000050              0.0000060              0.0000110             -0.0000160             -0.0000190        
   5149.5900000              0.0002280             -0.0000780              0.0000190              0.0000240              0.0000490             -0.0000560             -0.0000870        
   1950.0300000              0.0008130             -0.0002780              0.0000670              0.0000840              0.0001630             -0.0002410             -0.0002700        
    834.4630000              0.0027730             -0.0009500              0.0002300              0.0002890              0.0006020             -0.0006620             -0.0010940        
    386.9900000              0.0086180             -0.0029650              0.0007130              0.0008970              0.0017350             -0.0026190             -0.0028450        
    189.3720000              0.0243890             -0.0084780              0.0020570              0.0025820              0.0053940             -0.0058290             -0.0098880        
     96.2845000              0.0613800             -0.0217270              0.0052380              0.0065830              0.0126850             -0.0193560             -0.0208950        
     50.4640000              0.1315120             -0.0479100              0.0116840              0.0146450              0.0308350             -0.0319690             -0.0577290        
     27.1483000              0.2254540             -0.0848350              0.0205230              0.0257980              0.0487250             -0.0805560             -0.0780440        
     14.9256000              0.2991520             -0.1182250              0.0292840              0.0366620              0.0823030             -0.0704160             -0.1627120        
      8.3161700              0.2750970             -0.1095570              0.0263730              0.0334130              0.0594740             -0.1831570             -0.1599950        
      4.6208600              0.1389430              0.0179470             -0.0065840             -0.0073480              0.0086460              0.1115480              0.0926730        
      2.5113800              0.0274120              0.2471120             -0.0738030             -0.0897590             -0.2621160              0.3981650              1.5778810        
      1.3309100             -0.0003570              0.4021140             -0.1194390             -0.1469230             -0.3935920              1.0931130             -0.8678530        
      0.6904150             -0.0016060              0.3402800             -0.1240420             -0.1705400             -0.2871610             -1.8838240             -2.5562590        
      0.3432070             -0.0007230              0.1277560              0.0379050              0.0258650              1.2506070             -0.2273100              4.0136040        
      0.1459030             -0.0000470              0.0116850              0.3730470              0.6050070              0.2254460              1.8732010             -2.7955480        
      0.0629230             -0.0000080              0.0003950              0.5239770              0.4600060             -0.8781090             -1.1618350              0.8804900        
V    P
      0.0268830              1.0000000        
V    P
      6.7472000              1.0000000        
V    P
      1.9539000              1.0000000        
V    P
      0.0114900              1.0000000        
V    D
    315.8080000              0.0002050             -0.0002170             -0.0003380             -0.0004460              0.0005350        
     93.6334000              0.0018340             -0.0019460             -0.0030140             -0.0038100              0.0056360        
     36.0393000              0.0095670             -0.0101870             -0.0159950             -0.0212090              0.0266230        
     15.6258000              0.0329840             -0.0353910             -0.0560850             -0.0727570              0.1140920        
      7.2005900              0.0872900             -0.0959860             -0.1575950             -0.2287970              0.3131230        
      3.4805900              0.1761900             -0.1908580             -0.2972960             -0.3698700              0.4547320        
      1.7098600              0.2606360             -0.2515260             -0.2699670             -0.0120350             -0.9829330        
      0.8329620              0.2990220             -0.1781850              0.2244730              0.9990860             -0.3904280        
      0.3976410              0.2693220              0.1286570              0.6824160             -0.2211580              1.8432160        
      0.1841450              0.1762820              0.4500970              0.0013190             -1.0290000             -1.5757380        
      0.0821190              0.0656500              0.3818610             -0.5971310              0.6624090              0.2036060        
V    D
      0.0344420              1.0000000        
V    D
      4.2941000              1.0000000        
V    D
      2.5036000              1.0000000        
V    D
      0.0144500              1.0000000        
V    F
      6.6514000              1.0000000        
V    F
      2.8885000              1.0000000        
V    F
      1.2544000              1.0000000        
V    F
      0.5447000              1.0000000        
V    F
      0.1769000              1.0000000        
V    F
      0.0574500              1.0000000        
V    G
      4.8058000              1.0000000        
V    G
      2.2562000              1.0000000        
V    G
      1.0592000              1.0000000        
V    G
      0.3521000              1.0000000        
V    G
      0.1170500              1.0000000        
V    H
      4.3898000              1.0000000        
V    H
      1.9449000              1.0000000        
V    H
      0.6908000              1.0000000        
V    H
      0.2453600              1.0000000        
V    I
      4.1690000              1.0000000        
V    I
      1.5368000              1.0000000        
V    I
      0.5665000              1.0000000        
end
basis "Cr_aug-cc-pwCV5Z-DK" SPHERICAL
Cr    S
      1.35540E+08            7.988356E-06          -4.423503E-06           9.507938E-07          -2.169298E-07          -4.324902E-07          -6.655637E-07           8.351431E-07          -1.037822E-06     
      2.42404E+07            1.931266E-05          -1.069522E-05           2.29903E-06           -5.245406E-07          -1.04551E-06           -1.608754E-06           2.021012E-06          -2.51344E-06      
      5.41227E+06            5.501981E-05          -3.047394E-05           6.55129E-06           -1.494719E-06          -2.980671E-06          -4.587504E-06           5.750406E-06          -7.141104E-06     
      1.44792E+06            0.0001302212          -7.21459E-05            1.551391E-05          -3.539655E-06          -7.052143E-06          -1.08491E-05            1.365756E-05          -1.700894E-05     
 448199.0000000              0.0002927924          -0.0001622872           3.490796E-05          -7.964466E-06          -1.58966E-05           -2.447725E-05           3.055438E-05          -3.783814E-05     
 155899.0000000              0.00062447            -0.0003463873           7.456195E-05          -1.701262E-05          -3.383913E-05          -5.20181E-05            6.599075E-05          -8.261133E-05     
  59479.6000000              0.001312315           -0.0007287714           0.0001569865          -3.581758E-05          -7.168719E-05          -0.0001105326           0.0001362312          -0.0001672367     
  24408.1000000              0.002757895           -0.001534531            0.0003311904          -7.557175E-05          -0.000149717           -0.0002297131           0.0002968797          -0.0003762776     
  10607.0000000              0.005886864           -0.003285742            0.0007105562          -0.0001621265          -0.0003261726          -0.000504199            0.0006067803          -0.0007322734     
   4823.0800000              0.01275334            -0.007158385            0.001556112           -0.0003551212          -0.0006995308          -0.001070484            0.001420496           -0.001831629      
   2274.0800000              0.02764037            -0.01567068             0.003430565           -0.0007829176          -0.00158454            -0.00245684             0.002878306           -0.003406227      
   1104.5400000              0.0580299             -0.03354476             0.007463144           -0.001703819           -0.003337475           -0.005096075            0.006948735           -0.009120497      
    550.0990000              0.1129400             -0.0677352              0.01547014            -0.003533391           -0.007202878           -0.01121471             0.01275716            -0.01478319       
    280.0100000              0.1914790             -0.1233915              0.02968119            -0.006786357           -0.01318455            -0.02008902             0.02863296            -0.03866482       
    145.3300000              0.2553998             -0.1891323              0.04946573            -0.01133321            -0.02352663            -0.03704662             0.03931614            -0.04311799       
     76.7551000              0.2241805             -0.2118809              0.06298093            -0.01448465            -0.02711642            -0.04084003             0.06960472            -0.1032378        
     41.1594000              0.1046212             -0.1088253              0.03446065            -0.007973652           -0.0202532             -0.03465912             0.007792521            0.02075082       
     22.3445000              0.05226127             0.1418616             -0.06854433             0.0160128              0.04086224             0.07017551            -0.01205026            -0.03914516       
     12.2293000              0.0943261              0.4340020             -0.2618341              0.06326731             0.1151279              0.1839111             -0.4427734              0.7650270        
      6.7077700              0.08989426             0.4205940             -0.3734862              0.09472229             0.2357592              0.4352639             -0.3877571              0.4583898        
      3.6569400              0.02958319             0.1383169             -0.09374652             0.02146664            -0.01495497            -0.1145446              0.1015322             -0.8162241        
      1.9597800              0.00260282             0.01178943             0.4031850             -0.1199792             -0.2568686             -0.7658490              2.4134830             -4.2566620        
      1.0175800              0.0001529062          -0.0005634646           0.5928442             -0.2179553             -0.7608963             -1.3228080             -1.3135760              8.7954540        
      0.5129130             -3.148845E-05          -0.0006341974           0.2710006             -0.2049556              0.1231665              2.3125880             -2.6704710             -6.3674240        
      0.1947980              3.298129E-06          -6.242247E-05           0.02094043             0.02536035             1.3336790              1.1444920              5.1440310             -0.07718246       
      0.1109690              1.448278E-05           0.0001024304          -0.003769577            0.4083642              0.3116838             -2.7281420             -2.5322670              4.9948380        
      0.0521230              2.195862E-05           8.812774E-05           0.003102853            0.5538116             -0.7120654              0.1723585             -2.0012780             -5.5369870        
Cr    S
      0.0244890              1.0000000        
Cr    S
      5.2776000              1.0000000        
Cr    S
      1.7542000              1.0000000        
Cr    S
      0.0115100              1.0000000        
Cr    P
  72029.6000000              0.0000180             -0.0000060              0.0000020              0.0000020              0.0000040              0.0000050             -0.0000070        
  17890.9000000              0.0000580             -0.0000200              0.0000050              0.0000060              0.0000120              0.0000170             -0.0000210        
   5678.2800000              0.0002350             -0.0000810              0.0000190              0.0000250              0.0000530              0.0000630             -0.0000960        
   2138.7500000              0.0008390             -0.0002910              0.0000680              0.0000880              0.0001780              0.0002590             -0.0002840        
    905.8550000              0.0028990             -0.0010080              0.0002390              0.0003080              0.0006580              0.0007560             -0.0012270        
    415.6450000              0.0091160             -0.0031870              0.0007500              0.0009680              0.0019430              0.0028670             -0.0030680        
    201.6950000              0.0259650             -0.0091780              0.0021780              0.0028070              0.0060100              0.0068170             -0.0113470        
    102.0400000              0.0652290             -0.0235020              0.0055440              0.0071480              0.0142900              0.0213860             -0.0225260        
     53.3955000              0.1381920             -0.0513060              0.0122430              0.0157580              0.0340490              0.0371400             -0.0663840        
     28.7570000              0.2329390             -0.0894510              0.0211740              0.0273110              0.0535590              0.0867790             -0.0792560        
     15.8536000              0.3018830             -0.1220480              0.0296210              0.0381310              0.0880820              0.0821420             -0.1962790        
      8.8638500              0.2665600             -0.1053490              0.0246650              0.0321240              0.0596580              0.1832060             -0.1328260        
      4.9433400              0.1274760              0.0349420             -0.0108710             -0.0130760             -0.0075160             -0.1563700              0.2007610        
      2.6973200              0.0235560              0.2633420             -0.0772030             -0.0972130             -0.3010680             -0.5064860              1.6694880        
      1.4364300             -0.0004170              0.4014720             -0.1173230             -0.1500190             -0.4037260             -0.8977050             -1.5147710        
      0.7485180             -0.0014190              0.3252750             -0.1154640             -0.1633260             -0.1805400              1.9776090             -1.7673040        
      0.3733100             -0.0006110              0.1179790              0.0466460              0.0542490              1.2490040             -0.0784390              3.6122160        
      0.1577460             -0.0000370              0.0104140              0.3726460              0.6112600              0.1136350             -1.6907600             -2.7767190        
      0.0674450             -0.0000060              0.0003090              0.5199920              0.4390970             -0.8277730              1.1510650              1.0038450        
Cr    P
      0.0285490              1.0000000        
Cr    P
      7.7063000              1.0000000        
Cr    P
      2.2690000              1.0000000        
Cr    P
      0.0120800              1.0000000        
Cr    D
    408.6230000              0.0001600             -0.0001810             -0.0002610             -0.0003830              0.0004370        
    120.7610000              0.0014480             -0.0016430             -0.0023550             -0.0032790              0.0045890        
     46.4460000              0.0078230             -0.0089270             -0.0129600             -0.0190900              0.0227170        
     20.2390000              0.0281850             -0.0323460             -0.0472650             -0.0677960              0.0996160        
      9.3638100              0.0772900             -0.0912500             -0.1386330             -0.2245640              0.3058450        
      4.5309400              0.1641140             -0.1928490             -0.2864130             -0.4060110              0.4774610        
      2.2314000              0.2548640             -0.2645410             -0.2875130             -0.0277500             -0.9325180        
      1.0877600              0.3022260             -0.1867400              0.1816790              0.9973750             -0.4753000        
      0.5173840              0.2792280              0.1269280              0.6898620             -0.1697640              1.8742470        
      0.2371640              0.1870480              0.4503720              0.0343680             -1.0397890             -1.5688730        
      0.1033080              0.0708990              0.3818950             -0.6335340              0.6710790              0.2238730        
Cr    D
      0.0414480              1.0000000        
Cr    D
      5.1967000              1.0000000        
Cr    D
      3.1194000              1.0000000        
Cr    D
      0.0166300              1.0000000        
Cr    F
      8.1276000              1.0000000        
Cr    F
      3.5260000              1.0000000        
Cr    F
      1.5297000              1.0000000        
Cr    F
      0.6636000              1.0000000        
Cr    F
      0.2158000              1.0000000        
Cr    F
      0.0701800              1.0000000        
Cr    G
      5.5422000              1.0000000        
Cr    G
      2.6311000              1.0000000        
Cr    G
      1.2491000              1.0000000        
Cr    G
      0.4265000              1.0000000        
Cr    G
      0.1456300              1.0000000        
Cr    H
      5.1778000              1.0000000        
Cr    H
      2.3419000              1.0000000        
Cr    H
      0.8661000              1.0000000        
Cr    H
      0.3203100              1.0000000        
Cr    I
      5.1719000              1.0000000        
Cr    I
      2.0805000              1.0000000        
Cr    I
      0.8369200              1.0000000        
end
basis "Mn_aug-cc-pwCV5Z-DK" SPHERICAL
Mn    S
      1.37766E+08            9.175881E-06          -4.381338E-06           1.068287E-06          -2.38094E-07           -4.84787E-07           -7.512011E-07           9.501859E-07          -1.128118E-06     
      2.45640E+07            2.220837E-05          -1.060525E-05           2.586031E-06          -5.763617E-07          -1.173096E-06          -1.817618E-06           2.302638E-06          -2.733535E-06     
      5.47999E+06            6.312902E-05          -3.015144E-05           7.352933E-06          -1.638783E-06          -3.337866E-06          -5.172616E-06           6.534031E-06          -7.758502E-06     
      1.46664E+06            0.000149043           -7.120841E-05           1.736941E-05          -3.871248E-06          -7.874209E-06          -1.21987E-05            1.549527E-05          -1.839184E-05     
 454421.0000000              0.000334252           -0.0001597824           3.898542E-05          -8.688905E-06          -1.77214E-05           -2.747141E-05           3.451419E-05          -4.099951E-05     
 158216.0000000              0.0007110598          -0.000340203            8.306111E-05          -1.851283E-05          -3.756312E-05          -5.816137E-05           7.462236E-05          -8.851677E-05     
  60404.3000000              0.001490706           -0.0007142262           0.0001744949          -3.889181E-05          -7.964774E-05          -0.0001235878           0.0001527131          -0.0001816369     
  24793.6000000              0.003125433           -0.001500807            0.0003673057          -8.18682E-05           -0.000165119           -0.0002553343           0.0003356054          -0.0003975353     
  10772.3000000              0.00665555            -0.003208026            0.0007865417          -0.0001753253          -0.0003618268          -0.0005624479           0.0006735275          -0.0008030675     
   4895.5400000              0.01438106            -0.006976942            0.001718715           -0.000383106           -0.0007660144          -0.001182468            0.001608663           -0.001902448      
   2306.5600000              0.03106181            -0.01525116             0.00378089            -0.0008430459          -0.00175539            -0.002734688            0.003158595           -0.003779167      
   1119.5600000              0.06485971            -0.0325723              0.008193983           -0.001827049           -0.003620866           -0.005582357            0.007873457           -0.009307704      
    557.3810000              0.1250063             -0.06555716             0.01688439            -0.003768381           -0.007932822           -0.01239937             0.01373173            -0.0165406        
    283.7780000              0.2083100             -0.1186999              0.03203007            -0.0071523             -0.01397326            -0.0215283              0.03227593            -0.03821704       
    147.4360000              0.2695263             -0.1799524              0.05227776            -0.01170913            -0.02536594            -0.04003117             0.03976109            -0.04887395       
     78.0227000              0.2254809             -0.1951121              0.06329496            -0.01421051            -0.02583964            -0.03951846             0.07706429            -0.09128293       
     41.9679000              0.09819842            -0.08217273             0.02730142            -0.006206358           -0.01989071            -0.03357302            -0.01214183             0.008491437      
     22.8778000              0.04363582             0.1808616             -0.08717741             0.02000513             0.05587662             0.09316877            -0.005722879            0.02611301       
     12.5845000              0.0696258              0.4586460             -0.2875772              0.06799373             0.1164236              0.1936863             -0.5354706              0.7079390        
      6.9417000              0.05919984             0.3972272             -0.3628884              0.09008027             0.2517457              0.4576255             -0.2928017              0.6498609        
      3.8062900              0.01745965             0.1168848             -0.04215027             0.006726841           -0.08002852            -0.2269693              0.09232953            -1.5963690        
      2.0503100              0.001273075            0.007958495            0.4388709             -0.1266192             -0.2433200             -0.8205798              2.8929030             -3.2731990        
      1.0683800             -8.199702E-05          -0.002092204            0.5771293             -0.2141210             -0.8158726             -1.1703670             -2.5729720              8.6437670        
      0.5366060             -8.846319E-05          -0.001135142            0.2387704             -0.1856184              0.3234709              2.4796750             -1.3308900             -7.1910560        
      0.1832600             -6.838112E-07          -7.879372E-05           0.01570217             0.0909400              1.5214530              0.5071965              5.1351630              2.6285060        
      0.1052970              9.2988E-06             0.0001025231          -0.004203808            0.4118037             -0.1148130             -2.4559780             -3.8523080              1.9458760        
      0.0514640              1.077915E-05           5.410158E-05           0.003045068            0.5094118             -0.6387061              0.4637332             -0.9550986             -4.4344500        
Mn    S
      0.0246780              1.0000000        
Mn    S
      5.8340000              1.0000000        
Mn    S
      1.9879000              1.0000000        
Mn    S
      0.0118300              1.0000000        
Mn    P
  79296.8000000              0.0000200             -0.0000070             -0.0000020              0.0000020              0.0000050              0.0000060              0.0000080        
  19317.1000000              0.0000630             -0.0000220             -0.0000050              0.0000070              0.0000140              0.0000200              0.0000250        
   6114.1000000              0.0002480             -0.0000860             -0.0000200              0.0000270              0.0000580              0.0000710              0.0001060        
   2316.2600000              0.0008630             -0.0003000             -0.0000690              0.0000940              0.0001920              0.0002850              0.0003420        
    989.6900000              0.0029100             -0.0010160             -0.0002350              0.0003190              0.0006960              0.0008150              0.0012720        
    457.9420000              0.0090030             -0.0031590             -0.0007240              0.0009840              0.0020080              0.0030400              0.0035810        
    223.6420000              0.0254540             -0.0090310             -0.0020910              0.0028430              0.0062130              0.0071830              0.0114470        
    113.5940000              0.0639330             -0.0231260             -0.0053130              0.0072090              0.0146760              0.0225240              0.0264520        
     59.5621000              0.1361980             -0.0507790             -0.0118180              0.0160560              0.0353990              0.0396270              0.0662750        
     32.1072000              0.2315300             -0.0893990             -0.0205920              0.0279420              0.0558380              0.0922750              0.1011730        
     17.7103000              0.3023300             -0.1228770             -0.0290740              0.0396110              0.0928570              0.0881760              0.1824440        
      9.9062100              0.2689820             -0.1065140             -0.0242130              0.0329680              0.0627380              0.1941840              0.2264760        
      5.5224300              0.1295470              0.0357560              0.0103870             -0.0131210             -0.0076120             -0.1735320             -0.4191550        
      3.0083200              0.0233200              0.2669420              0.0758020             -0.1026490             -0.3326500             -0.6083310             -1.7434020        
      1.5987300             -0.0015660              0.4036250              0.1132510             -0.1544890             -0.4106540             -0.7382110              2.2743340        
      0.8308680             -0.0023560              0.3225890              0.1107600             -0.1600600             -0.1060750              2.0243030              0.6841410        
      0.4135380             -0.0009350              0.1156130             -0.0458160              0.0784490              1.2223080             -0.3298290             -2.8576890        
      0.1712140             -0.0000620              0.0099950             -0.3666060              0.6163740              0.0490250             -1.4935320              2.5150700        
      0.0721220             -0.0000060              0.0001640             -0.5209940              0.4207930             -0.7934070              1.1177440             -1.0349870        
Mn    P
      0.0301100              1.0000000        
Mn    P
      8.8318000              1.0000000        
Mn    P
      2.6917000              1.0000000        
Mn    P
      0.0125700              1.0000000        
Mn    D
    449.7850000              0.0001690             -0.0001730             -0.0002730             -0.0003450              0.0004430        
    132.7510000              0.0015380             -0.0015710             -0.0024890             -0.0031230              0.0041250        
     50.9528000              0.0083670             -0.0085770             -0.0137240             -0.0174550              0.0227360        
     22.1594000              0.0303140             -0.0312520             -0.0506030             -0.0644950              0.0894400        
     10.2612000              0.0828020             -0.0873880             -0.1473270             -0.2022090              0.3004590        
      4.9780300              0.1723770             -0.1828420             -0.2974210             -0.4044630              0.4539710        
      2.4573000              0.2608660             -0.2505620             -0.2738540             -0.0249760             -0.8298630        
      1.2010100              0.3011350             -0.1725500              0.1901550              0.9272090             -0.5280360        
      0.5725160              0.2713710              0.1183370              0.6286420             -0.0725570              1.6092210        
      0.2625960              0.1780740              0.4199520              0.1058660             -0.9877520             -0.9535770        
      0.1141400              0.0677740              0.4092760             -0.5751650              0.4393010             -0.3842430        
Mn    D
      0.0456420              1.0000000        
Mn    D
      5.9718000              1.0000000        
Mn    D
      3.5428000              1.0000000        
Mn    D
      0.0182500              1.0000000        
Mn    F
      9.4747000              1.0000000        
Mn    F
      4.1404000              1.0000000        
Mn    F
      1.8093000              1.0000000        
Mn    F
      0.7906000              1.0000000        
Mn    F
      0.2614000              1.0000000        
Mn    F
      0.0864300              1.0000000        
Mn    G
      6.4908000              1.0000000        
Mn    G
      3.1225000              1.0000000        
Mn    G
      1.5022000              1.0000000        
Mn    G
      0.5327000              1.0000000        
Mn    G
      0.1889000              1.0000000        
Mn    H
      6.0071000              1.0000000        
Mn    H
      2.7692000              1.0000000        
Mn    H
      1.0636000              1.0000000        
Mn    H
      0.4085100              1.0000000        
Mn    I
      6.0846000              1.0000000        
Mn    I
      2.5736000              1.0000000        
Mn    I
      1.0885500              1.0000000        
end
basis "Fe_aug-cc-pwCV5Z-DK" SPHERICAL
Fe    S
      1.497690E+08           9.531119E-06          -4.913763E-06           1.145921E-06          -2.499184E-07          -5.057064E-07          -8.093468E-07           1.009555E-06          -1.171395E-06     
      2.672250E+07           2.300510E-05          -1.186149E-05           2.766402E-06          -6.033367E-07          -1.220404E-06          -1.952950E-06           2.438973E-06          -2.828050E-06     
      5.959000E+06           6.533733E-05          -3.369390E-05           7.859110E-06          -1.714026E-06          -3.469376E-06          -5.553066E-06           6.919803E-06          -8.033704E-06     
      1.593610E+06           1.539246E-04          -7.940325E-05           1.852562E-05          -4.040379E-06          -8.167834E-06          -1.306815E-05           1.635306E-05          -1.894135E-05     
      4.934640E+05           3.441447E-04          -1.776260E-04           4.145544E-05          -9.041239E-06          -1.832321E-05          -2.934013E-05           3.641348E-05          -4.237323E-05     
      1.717900E+05           7.285032E-04          -3.763323E-04           8.789446E-05          -1.916995E-05          -3.866489E-05          -6.181847E-05           7.794704E-05          -8.991028E-05     
      6.562090E+04           1.517001E-03          -7.847577E-04           1.834278E-04          -4.000594E-05          -8.138991E-05          -1.304882E-04           1.599140E-04          -1.874489E-04     
      2.696560E+04           3.152876E-03          -1.634599E-03           3.827944E-04          -8.349108E-05          -1.674412E-04          -2.672449E-04           3.433745E-04          -3.920043E-04     
      1.173530E+04           6.646998E-03          -3.458929E-03           8.117003E-04          -1.770532E-04          -3.628889E-04          -5.831799E-04           6.974589E-04          -8.294306E-04     
      5.343430E+03           1.421791E-02          -7.445276E-03           1.756160E-03          -3.830627E-04          -7.617575E-04          -1.212784E-03           1.602278E-03          -1.802024E-03     
      2.522500E+03           3.045407E-02          -1.613255E-02           3.832022E-03          -8.361335E-04          -1.728858E-03          -2.786404E-03           3.239062E-03          -3.921863E-03     
      1.226430E+03           6.326536E-02          -3.424328E-02           8.263218E-03          -1.803028E-03          -3.554612E-03          -5.647232E-03           7.683257E-03          -8.517307E-03     
      6.112690E+02           1.217368E-01          -6.867767E-02           1.700162E-02          -3.713337E-03          -7.758713E-03          -1.255431E-02           1.414236E-02          -1.752690E-02     
      3.113080E+02           2.031899E-01          -1.241129E-01           3.230925E-02          -7.060540E-03          -1.373763E-02          -2.178032E-02           3.109497E-02          -3.380397E-02     
      1.616240E+02           2.639911E-01          -1.879234E-01           5.300739E-02          -1.161964E-02          -2.493160E-02          -4.077901E-02           4.257946E-02          -5.606095E-02     
      8.537670E+01           2.217772E-01          -2.035676E-01           6.470433E-02          -1.421996E-02          -2.593594E-02          -4.054708E-02           7.133516E-02          -7.105126E-02     
      4.579110E+01           9.737963E-02          -8.676264E-02           2.828077E-02          -6.293242E-03          -1.941813E-02          -3.465794E-02           2.183397E-03          -3.324306E-02     
      2.486770E+01           4.984019E-02           1.846239E-01          -9.137907E-02           2.055029E-02           5.554122E-02           9.685341E-02          -3.611419E-02           1.098520E-01     
      1.362020E+01           8.424513E-02           4.648402E-01          -2.999505E-01           6.959376E-02           1.214082E-01           2.002373E-01          -4.667594E-01           4.989928E-01     
      7.481060E+00           6.965248E-02           3.903679E-01          -3.644776E-01           8.869390E-02           2.442000E-01           4.769334E-01          -4.745196E-01           1.180867E+00     
      4.088170E+00           1.953405E-02           1.090655E-01          -1.915949E-02           4.909512E-04          -9.045983E-02          -2.581863E-01           3.405478E-01          -2.682314E+00     
      2.199050E+00           1.411159E-03           7.382610E-03           4.570656E-01          -1.299238E-01          -2.628125E-01          -9.230158E-01           2.965055E+00          -1.995422E+00     
      1.148150E+00          -3.351105E-05          -1.537976E-03           5.657498E-01          -2.097213E-01          -7.631501E-01          -9.809175E-01          -3.124263E+00           8.024293E+00     
      5.772650E-01          -6.461351E-05          -7.905751E-04           2.232925E-01          -1.737261E-01           3.326928E-01           2.397220E+00          -7.678803E-01          -7.388690E+00     
      1.976350E-01          -5.426027E-07          -6.577098E-05           1.356199E-02           1.060750E-01           1.404621E+00           3.264145E-01           4.549504E+00           3.656810E+00     
      1.089860E-01           9.196538E-06           8.549943E-05          -2.894495E-03           4.180125E-01          -4.692165E-02          -2.193316E+00          -3.555516E+00           5.149325E-01     
      5.321600E-02           8.539820E-06           3.097134E-05           2.889479E-03           4.927516E-01          -5.871979E-01           3.872588E-01          -7.601738E-01          -3.554667E+00     
Fe    S
      2.557100E-02           1.0000000        
Fe    S
      6.622400E+00           1.0000000        
Fe    S
      2.214000E+00           1.0000000        
Fe    S
      0.0122900              1.0000000        
Fe    P
      8.694730E+04           2.100000E-05          -7.000000E-06           1.000000E-06           2.000000E-06           5.000000E-06           7.000000E-06           9.000000E-06     
      2.125400E+04           6.500000E-05          -2.300000E-05           5.000000E-06           8.000000E-06           1.600000E-05           2.200000E-05           2.900000E-05     
      6.741140E+03           2.530000E-04          -8.900000E-05           1.800000E-05           3.000000E-05           6.400000E-05           7.500000E-05           1.090000E-04     
      2.557160E+03           8.630000E-04          -3.050000E-04           6.200000E-05           1.010000E-04           2.050000E-04           2.990000E-04           3.970000E-04     
      1.093510E+03           2.880000E-03          -1.021000E-03           2.060000E-04           3.450000E-04           7.420000E-04           8.360000E-04           1.230000E-03     
      5.061610E+02           8.871000E-03          -3.160000E-03           6.410000E-04           1.044000E-03           2.112000E-03           3.150000E-03           4.171000E-03     
      2.471390E+02           2.510200E-02          -9.040000E-03           1.823000E-03           3.062000E-03           6.608000E-03           7.347000E-03           1.095300E-02     
      1.254150E+02           6.332100E-02          -2.325300E-02           4.724000E-03           7.685000E-03           1.552500E-02           2.347700E-02           3.129800E-02     
      6.565120E+01           1.358630E-01          -5.143700E-02           1.040000E-02           1.753200E-02           3.812900E-02           4.108700E-02           6.292500E-02     
      3.530790E+01           2.327030E-01          -9.133900E-02           1.867000E-02           3.016100E-02           5.988300E-02           9.755200E-02           1.287670E-01     
      1.942600E+01           3.046360E-01          -1.258840E-01           2.558200E-02           4.422700E-02           1.016430E-01           9.084200E-02           1.531790E-01     
      1.084380E+01           2.687880E-01          -1.069500E-01           2.223100E-02           3.394600E-02           6.563800E-02           2.145040E-01           3.717700E-01     
      6.043590E+00           1.273450E-01           4.101900E-02          -1.184000E-02          -1.352500E-02          -8.619000E-03          -2.163130E-01          -8.112890E-01     
      3.302450E+00           2.283300E-02           2.708820E-01          -6.396100E-02          -1.194880E-01          -3.943080E-01          -6.998590E-01          -1.554388E+00     
      1.763890E+00          -1.141000E-03           4.012450E-01          -1.027460E-01          -1.621650E-01          -4.130690E-01          -5.724700E-01           2.844491E+00     
      9.213860E-01          -2.029000E-03           3.176300E-01          -8.752100E-02          -1.665290E-01           8.383000E-03           2.128303E+00          -3.331810E-01     
      4.603730E-01          -8.150000E-04           1.157220E-01           1.970400E-02           1.323570E-01           1.195480E+00          -6.883840E-01          -2.070494E+00     
      1.837720E-01          -5.400000E-05           1.016500E-02           3.183820E-01           6.424150E-01          -8.571000E-02          -1.235466E+00           2.197026E+00     
      7.583300E-02          -2.000000E-06          -1.700000E-04           5.417010E-01           3.670330E-01          -7.319400E-01           1.097960E+00          -1.047747E+00     
Fe    P
      3.109900E-02           1.0000000        
Fe    P
      1.001280E+01           1.0000000        
Fe    P
      3.186900E+00           1.0000000        
Fe    P
      0.0127500              1.0000000        
Fe    D
      5.184160E+02           1.600000E-04          -1.770000E-04          -2.540000E-04          -3.410000E-04          -4.710000E-04     
      1.528190E+02           1.455000E-03          -1.610000E-03          -2.339000E-03          -3.247000E-03          -4.007000E-03     
      5.858690E+01           8.031000E-03          -8.916000E-03          -1.299300E-02          -1.768300E-02          -2.411700E-02     
      2.545640E+01           2.971400E-02          -3.317100E-02          -4.910900E-02          -6.901000E-02          -8.928600E-02     
      1.178680E+01           8.223200E-02          -9.400200E-02          -1.441260E-01          -2.130540E-01          -3.436340E-01     
      5.718610E+00           1.721170E-01          -1.993290E-01          -3.047430E-01          -4.729490E-01          -5.125270E-01     
      2.824170E+00           2.605020E-01          -2.718150E-01          -2.717250E-01           8.417800E-02           1.246333E+00     
      1.379850E+00           2.998410E-01          -1.664290E-01           2.521590E-01           1.019310E+00          -2.830500E-02     
      6.561600E-01           2.711060E-01           1.583620E-01           6.338040E-01          -3.538990E-01          -1.483245E+00     
      2.996090E-01           1.810280E-01           4.350360E-01           1.322800E-02          -8.589280E-01           1.390922E+00     
      1.293610E-01           7.104300E-02           3.719440E-01          -6.003050E-01           5.806560E-01          -1.698910E-01     
Fe    D
      5.115500E-02           1.0000000        
Fe    D
      7.098200E+00           1.0000000        
Fe    D
      4.277200E+00           1.0000000        
Fe    D
      0.0202300              1.0000000        
Fe    F
      1.104710E+01           1.0000000        
Fe    F
      4.854100E+00           1.0000000        
Fe    F
      2.132900E+00           1.0000000        
Fe    F
      9.372000E-01           1.0000000        
Fe    F
      3.141000E-01           1.0000000        
Fe    F
      0.1052700              1.0000000        
Fe    G
      7.547500E+00           1.0000000        
Fe    G
      3.673700E+00           1.0000000        
Fe    G
      1.788100E+00           1.0000000        
Fe    G
      6.564000E-01           1.0000000        
Fe    G
      0.2409600              1.0000000        
Fe    H
      6.926300E+00           1.0000000        
Fe    H
      3.252700E+00           1.0000000        
Fe    H
      1.296400E+00           1.0000000        
Fe    H
      0.5166900              1.0000000        
Fe    I
      7.056900E+00           1.0000000        
Fe    I
      1.3776500              1.0000000        
end
basis "Co_aug-cc-pwCV5Z-DK" SPHERICAL
Co    S
      1.61030E+08            1.005831E-05          -5.289415E-06           1.229605E-06          -2.623766E-07          -5.219106E-07          -8.836608E-07           1.083962E-06           1.244828E-06     
      2.87558E+07            2.418419E-05          -1.271923E-05           2.957032E-06          -6.309811E-07          -1.254702E-06          -2.124067E-06           2.608069E-06           2.992113E-06     
      6.42324E+06            6.846343E-05          -3.601347E-05           8.373552E-06          -1.786773E-06          -3.555186E-06          -6.020144E-06           7.378921E-06           8.480955E-06     
      1.72120E+06            0.000160551           -8.448201E-05           1.964835E-05          -4.192681E-06          -8.332619E-06          -1.410295E-05           1.734385E-05           1.986664E-05     
 533994.0000000              0.0003573516          -0.0001881435           4.377266E-05          -9.340377E-06          -1.860578E-05          -3.152172E-05           3.851368E-05           4.44134E-05      
 186194.0000000              0.0007524535          -0.0003965136           9.232007E-05          -1.970036E-05          -3.90719E-05           -6.60715E-05            8.174321E-05           9.306556E-05     
  71201.7000000              0.001557729           -0.0008220461           0.000191559           -4.087664E-05          -8.171241E-05          -0.0001386482           0.0001677276           0.0001954644     
  29276.2000000              0.003215932           -0.00170092             0.0003971299          -8.474813E-05          -0.0001672056          -0.0002821319           0.0003543362           0.0003972354     
  12742.3000000              0.006731782           -0.003573935            0.0008362892          -0.000178474           -0.0003592347          -0.0006113458           0.0007253799           0.0008630873     
   5800.5100000              0.01430107            -0.007640675            0.001797242           -0.0003835678          -0.0007508135          -0.001262795            0.001622418            0.001777112      
   2736.9600000              0.03046694            -0.01646716             0.003901641           -0.0008329223          -0.001690506           -0.002887387            0.003348887            0.004087733      
   1329.9900000              0.06307436            -0.03483002             0.008385303           -0.001790232           -0.003475677           -0.005828135            0.007673761            0.008208135      
    662.6110000              0.1211301             -0.06970371             0.01722495            -0.003680833           -0.007545748           -0.01295023             0.01464827             0.01845557       
    337.4150000              0.2019129             -0.1257417              0.03269722            -0.006991583           -0.01340552            -0.02239885             0.03072353             0.0317399        
    175.2340000              0.2621166             -0.1900435              0.05361657            -0.0114996             -0.02418218            -0.04203284             0.0447970              0.06108727       
     92.6434000              0.2203891             -0.2055906              0.06544278            -0.01407429            -0.0253850             -0.04150388             0.06813346             0.05970255       
     49.7576000              0.09741493            -0.08810301             0.02877317            -0.006263082           -0.01864738            -0.03625394             0.01080639             0.05810058       
     27.0728000              0.05139403             0.1847425             -0.09285749             0.02044358             0.0535809              0.1006906             -0.05323183            -0.1582299        
     14.8610000              0.08720267             0.4644587             -0.3037701              0.06899805             0.1194320              0.2013184             -0.4188921             -0.3738525        
      8.1812100              0.07201628             0.3893510             -0.3649679              0.08679416             0.2332153              0.4996169             -0.6190722             -1.5325190        
      4.4794100              0.02033519             0.1095439             -0.01614853            -0.0002481641          -0.08449372            -0.2741211              0.5395570              3.3585990        
      2.4119100              0.001482286            0.00749383             0.4594886             -0.1278762             -0.2635046             -0.9585018              2.8852480              1.1755130        
      1.2584400             -3.935072E-05          -0.001499069            0.5645161             -0.2042779             -0.7020055             -0.9159533             -3.2281870             -7.4023150        
      0.6312340             -7.063343E-05          -0.0007921508           0.2219477             -0.1679982              0.2829039              2.3009600             -0.5981499              7.1300430        
      0.2152970             -3.872963E-07          -6.025659E-05           0.01341422             0.09731253             1.2814760              0.4067037              4.2621970             -3.6484700        
      0.1185100              5.656943E-06           6.137086E-05          -0.002819425            0.4059191              0.08269332            -2.0722390             -3.1973340             -0.3800983        
      0.0572090              5.765335E-06           1.596147E-05           0.002850658            0.4984338             -0.5151596              0.2039038             -0.9026527              3.3503540        
Co    S
      0.0271660              1.0000000        
Co    S
      7.3346000              1.0000000        
Co    S
      2.6036000              1.0000000        
Co    S
      0.0129000              1.0000000        
Co    P
  97512.6000000              0.0000220             -0.0000080              0.0000020              0.0000030              0.0000060              0.0000070              0.0000100        
  23815.1000000              0.0000660             -0.0000230              0.0000050              0.0000080              0.0000170              0.0000220              0.0000310        
   7540.4300000              0.0002520             -0.0000900              0.0000200              0.0000320              0.0000670              0.0000780              0.0001100        
   2854.0800000              0.0008480             -0.0003030              0.0000660              0.0001050              0.0002110              0.0002990              0.0004180        
   1217.6900000              0.0028130             -0.0010070              0.0002230              0.0003580              0.0007580              0.0008450              0.0011970        
    562.5150000              0.0086460             -0.0031120              0.0006820              0.0010780              0.0021560              0.0031230              0.0043860        
    274.2740000              0.0244890             -0.0089090              0.0019780              0.0031740              0.0067440              0.0074230              0.0105980        
    139.1140000              0.0618950             -0.0229590              0.0050420              0.0079580              0.0158960              0.0233610              0.0331430        
     72.8598000              0.1332890             -0.0509740              0.0113810              0.0182850              0.0391480              0.0418220              0.0606140        
     39.2448000              0.2296000             -0.0910870              0.0200420              0.0315250              0.0618960              0.0975620              0.1404950        
     21.6430000              0.3028860             -0.1264160              0.0287430              0.0468610              0.1055240              0.0946120              0.1393730        
     12.1149000              0.2711760             -0.1093480              0.0236180              0.0364210              0.0714280              0.2204310              0.4499180        
      6.7691200              0.1320160              0.0360560             -0.0094800             -0.0118170             -0.0044130             -0.2118190             -0.9931010        
      3.7052800              0.0248220              0.2668180             -0.0734850             -0.1276830             -0.4223150             -0.7588750             -1.4130860        
      1.9790100             -0.0009360              0.4018200             -0.1067580             -0.1731630             -0.4262330             -0.4724910              2.9290650        
      1.0312700             -0.0020170              0.3216300             -0.1068070             -0.1635510              0.0815560              2.0963660             -0.6058880        
      0.5136090             -0.0008300              0.1188690              0.0419610              0.1536860              1.1466020             -0.7589120             -1.8335560        
      0.2044820             -0.0000530              0.0106110              0.3566630              0.6349130             -0.1112240             -1.1642940              2.0771050        
      0.0838700             -0.0000020             -0.0002040              0.5236540              0.3577730             -0.7105390              1.0676890             -0.9947610        
Co    P
      0.0341020              1.0000000        
Co    P
     11.2264000              1.0000000        
Co    P
      3.6309000              1.0000000        
Co    P
      0.0138700              1.0000000        
Co    D
    545.1100000              0.0001810             -0.0002090              0.0002770             -0.0003850             -0.0005830        
    160.5580000              0.0016350             -0.0019030              0.0025550             -0.0036800             -0.0042550        
     61.6223000              0.0089410             -0.0104410              0.0139620             -0.0196840             -0.0289000        
     26.8224000              0.0327080             -0.0384790              0.0525040             -0.0765810             -0.0939660        
     12.4583000              0.0893220             -0.1079020              0.1517350             -0.2355780             -0.4172350        
      6.0606600              0.1819660             -0.2222780              0.3163190             -0.5047020             -0.4197820        
      2.9951700              0.2666540             -0.2817040              0.2342970              0.2497730              1.4598530        
      1.4647770              0.2974140             -0.1294980             -0.3302410              0.9813720             -0.5170060        
      0.6982420              0.2620050              0.2102160             -0.5981010             -0.5418260             -1.1613150        
      0.3200570              0.1719960              0.4320100              0.0737630             -0.7166120              1.4364000        
      0.1388040              0.0667780              0.3313770              0.5953900              0.6007770             -0.3666040        
Co    D
      0.0550170              1.0000000        
Co    D
      8.0293000              1.0000000        
Co    D
      4.9005000              1.0000000        
Co    D
      0.0218100              1.0000000        
Co    F
     12.5542000              1.0000000        
Co    F
      5.5551000              1.0000000        
Co    F
      2.4581000              1.0000000        
Co    F
      1.0877000              1.0000000        
Co    F
      0.3686000              1.0000000        
Co    F
      0.1249100              1.0000000        
Co    G
      8.7355000              1.0000000        
Co    G
      4.2811000              1.0000000        
Co    G
      2.0981000              1.0000000        
Co    G
      0.7828000              1.0000000        
Co    G
      0.2920600              1.0000000        
Co    H
      7.8788000              1.0000000        
Co    H
      3.7437000              1.0000000        
Co    H
      1.5288000              1.0000000        
Co    H
      0.6243100              1.0000000        
Co    I
      8.0114000              1.0000000        
Co    I
      3.6607000              1.0000000        
Co    I
      1.6727100              1.0000000        
end
basis "Ni_aug-cc-pwCV5Z-DK" SPHERICAL
Ni    S
      1.68793E+08            1.11455E-05           -5.043764E-06           1.330912E-06          -2.819239E-07          -5.758226E-07          -9.674943E-07           1.219283E-06           1.322514E-06     
      3.01369E+07            2.674566E-05          -1.210492E-05           3.194398E-06          -6.766625E-07          -1.38159E-06           -2.321048E-06           2.927075E-06           3.170046E-06     
      6.73075E+06            7.560786E-05          -3.422672E-05           9.033045E-06          -1.913452E-06          -3.909269E-06          -6.56906E-06            8.274214E-06           8.985543E-06     
      1.80337E+06            0.0001769323          -8.012597E-05           2.115166E-05          -4.480559E-06          -9.14339E-06           -1.535772E-05           1.938851E-05           2.094946E-05     
 559438.0000000              0.0003929173          -0.000178053            4.70163E-05           -9.959456E-06          -2.037045E-05          -3.424501E-05           4.304164E-05           4.697022E-05     
 195064.0000000              0.0008248052          -0.0003741491           9.886182E-05          -2.094236E-05          -4.264871E-05          -7.158093E-05           9.073844E-05           9.71579E-05      
  74600.7000000              0.001701009           -0.0007729059           0.0002043699          -4.329337E-05          -8.886206E-05          -0.0001495874           0.0001867539           0.0002069702     
  30681.7000000              0.003494599           -0.001591974            0.0004216639          -8.932529E-05          -0.0001809535          -0.0003031282           0.000388259            0.0004060092     
  13360.3000000              0.007272797           -0.003327596            0.0008829815          -0.0001870752          -0.0003866838          -0.0006526477           0.0008041199           0.0009187785     
   6086.1600000              0.01535118            -0.007074535            0.001885769           -0.0003995025          -0.0008027343          -0.00134082             0.001745217            0.001758203      
   2874.6200000              0.03249089            -0.01517166             0.004068372           -0.000862274           -0.00179786            -0.003044579            0.003693127            0.00438095       
   1398.7200000              0.06684987            -0.03197645             0.00869209            -0.001842008           -0.003669051           -0.006111454            0.008099889            0.00782895       
    697.9810000              0.1276102             -0.06391677             0.01775274            -0.003766607           -0.007937377           -0.01350153             0.01610158             0.0199857        
    356.1100000              0.2114163             -0.1155230              0.0334876             -0.0071071             -0.01396658            -0.02318684             0.03171001             0.02869828       
    185.3460000              0.2728573             -0.1756848              0.05445887            -0.01159882            -0.02511315            -0.04322462             0.04955722             0.0684648        
     98.2221000              0.2286785             -0.1910176              0.06548033            -0.01397056            -0.02566644            -0.04171037             0.06568098             0.04130795       
     52.8834000              0.09942012            -0.07648369             0.02662443            -0.005773919           -0.01852144            -0.03556996             0.02018518             0.09157975       
     28.8424000              0.04031309             0.1982116             -0.09916549             0.02171281             0.05817027             0.1066222             -0.08281828            -0.2333703        
     15.8664000              0.05927035             0.4740300             -0.3121481              0.07030194             0.1236915              0.2047607             -0.3786365             -0.2092151        
      8.7493300              0.04712619             0.3847731             -0.3590690              0.08462533             0.2398630              0.5238749             -0.8691045             -2.0472240        
      4.7948200              0.01288533             0.1045997              0.002604259           -0.005047669           -0.09725587            -0.3124284              1.0440740              4.7032490        
      2.5812400              0.0008317535           0.006103306            0.4711867             -0.1296901             -0.2959249             -1.0563740              2.7351460             -0.8023461        
      1.3445000             -7.554855E-05          -0.002299311            0.5527499             -0.2012956             -0.6959261             -0.7333535             -3.8497350             -5.9141560        
      0.6723740             -6.85942E-05           -0.001081425            0.2135531             -0.1582789              0.3665478              2.2736060              0.2236010              6.7956740        
      0.2246400              1.366875E-07          -7.510386E-05           0.01362464             0.1163200              1.2213420              0.1293375              3.6624860             -4.5843590        
      0.1201920             -7.552748E-08           4.010015E-05          -0.003080643            0.4124561              0.04730264            -1.8379900             -3.1322300              1.1645270        
      0.0581540              9.323819E-07          -1.281769E-05           0.002927857            0.4807054             -0.4820361              0.2467702             -0.5312799              2.3855290        
Ni    S
      0.0277230              1.0000000        
Ni    S
      8.2138000              1.0000000        
Ni    S
      2.9486000              1.0000000        
Ni    S
      0.0132200              1.0000000        
Ni    P
 104158.0000000              0.0000240             -0.0000080              0.0000020              0.0000040              0.0000060              0.0000080              0.0000110        
  25289.1000000              0.0000710             -0.0000250              0.0000050              0.0000110              0.0000190              0.0000250              0.0000360        
   7974.0600000              0.0002700             -0.0000960              0.0000200              0.0000410              0.0000740              0.0000880              0.0001210        
   3013.0100000              0.0009000             -0.0003220              0.0000650              0.0001340              0.0002340              0.0003320              0.0004810        
   1286.4100000              0.0029550             -0.0010610              0.0002170              0.0004580              0.0008290              0.0009370              0.0012740        
    595.8550000              0.0089790             -0.0032420              0.0006530              0.0013370              0.0023390              0.0034100              0.0049790        
    291.6560000              0.0251730             -0.0091870              0.0018820              0.0039890              0.0072320              0.0080480              0.0109720        
    148.5440000              0.0630870             -0.0234940              0.0047430              0.0096870              0.0169390              0.0251120              0.0371840        
     78.0737000              0.1350930             -0.0518810              0.0106900              0.0227420              0.0414520              0.0448180              0.0613990        
     42.1478000              0.2320840             -0.0925700              0.0187080              0.0378790              0.0655390              0.1038800              0.1591110        
     23.2599000              0.3048650             -0.1279250              0.0268930              0.0588910              0.1111980              0.1028040              0.1374730        
     13.0121000              0.2689810             -0.1071910              0.0209700              0.0404660              0.0751090              0.2396150              0.5368010        
      7.2639900              0.1273410              0.0450880             -0.0104270             -0.0143880             -0.0190020             -0.2936930             -1.4484750        
      3.9735700              0.0226490              0.2753100             -0.0696820             -0.1788770             -0.4847590             -0.8582750             -0.9215800        
      2.1215600             -0.0014960              0.4006790             -0.0955950             -0.2026780             -0.4090310             -0.1754300              3.2225130        
      1.1051500             -0.0023130              0.3121110             -0.0977650             -0.1551100              0.2615810              2.1212470             -1.6253210        
      0.5499500             -0.0009250              0.1165030              0.0389470              0.2878760              1.0593320             -1.1875640             -0.9546340        
      0.2109760             -0.0000590              0.0109500              0.3452550              0.6314600             -0.3141640             -0.8018700              1.7502800        
      0.0846800              0.0000020             -0.0004560              0.5265360              0.2620860             -0.6289690              1.0006810             -1.0325020        
Ni    P
      0.0338250              1.0000000        
Ni    P
     12.4876000              1.0000000        
Ni    P
      4.0560000              1.0000000        
Ni    P
      0.0135100              1.0000000        
Ni    D
    606.3219000              0.0001750             -0.0001800              0.0002520             -0.0003460              0.0004490        
    178.0133000              0.0015890             -0.0016390              0.0023260             -0.0033530              0.0038930        
     68.1978800              0.0087470             -0.0090510              0.0128210             -0.0179140              0.0229740        
     29.6844500              0.0322300             -0.0335490              0.0482080             -0.0703320              0.0841790        
     13.8110200              0.0881300             -0.0938500              0.1383100             -0.2107640              0.3161640        
      6.7329400              0.1786790             -0.1922910              0.2885600             -0.4608870              0.4971100        
      3.3339400              0.2602620             -0.2488300              0.2632470              0.0843710             -1.0251380        
      1.6332300              0.2887410             -0.1470970             -0.1857870              0.8568230             -0.2645880        
      0.7793770              0.2577120              0.1116550             -0.5540290             -0.0668550              1.3547650        
      0.3572790              0.1830620              0.3505420             -0.1971970             -0.7883020             -0.6768780        
      0.1546890              0.0924910              0.4117870              0.4546310              0.0988680             -0.5849220        
Ni    D
      0.0610440              1.0000000        
Ni    D
      8.7417000              1.0000000        
Ni    D
      5.1900000              1.0000000        
Ni    D
      0.0240900              1.0000000        
Ni    F
     14.0323000              1.0000000        
Ni    F
      6.2546000              1.0000000        
Ni    F
      2.7879000              1.0000000        
Ni    F
      1.2426000              1.0000000        
Ni    F
      0.4261000              1.0000000        
Ni    F
      0.1461100              1.0000000        
Ni    G
     10.1227000              1.0000000        
Ni    G
      4.9792000              1.0000000        
Ni    G
      2.4492000              1.0000000        
Ni    G
      0.9247000              1.0000000        
Ni    G
      0.3491200              1.0000000        
Ni    H
      8.8642000              1.0000000        
Ni    H
      4.2443000              1.0000000        
Ni    H
      1.7637000              1.0000000        
Ni    H
      0.7329000              1.0000000        
Ni    I
      8.9517000              1.0000000        
Ni    I
      4.2210000              1.0000000        
Ni    I
      1.9903300              1.0000000        
end
basis "Cu_aug-cc-pwCV5Z-DK" SPHERICAL
Cu    S
      1.93188E+08            1.077111E-05          -6.055029E-06           1.365622E-06          -2.789768E-07           5.256631E-07          -1.018537E-06           1.20746E-06            1.406211E-06     
      3.39452E+07            2.625955E-05          -1.476355E-05           3.330013E-06          -6.802742E-07           1.281398E-06          -2.482537E-06           2.94561E-06            3.425372E-06     
      7.51046E+06            7.413449E-05          -4.168743E-05           9.404136E-06          -1.921131E-06           3.620811E-06          -7.016568E-06           8.312365E-06           9.691645E-06     
      2.00199E+06            0.0001734629          -9.757587E-05           2.201838E-05          -4.498099E-06           8.468753E-06          -1.640376E-05           1.949021E-05           2.261509E-05     
 619378.0000000              0.0003840298          -0.0002161504           4.879563E-05          -9.968316E-06           1.880668E-05          -3.646087E-05           4.307576E-05           5.045662E-05     
 215606.0000000              0.0008032141          -0.0004525034           0.0001022349          -2.088599E-05           3.924933E-05          -7.596561E-05           9.073116E-05           0.0001043775     
  82327.1000000              0.001649225           -0.0009305228           0.0002104518          -4.299405E-05           8.137567E-05          -0.0001579847           0.0001850359           0.0002199608     
  33788.4000000              0.003372931           -0.00190745             0.0004322946          -8.831869E-05           0.000165174           -0.0003190542           0.0003861571           0.0004344424     
  14670.0000000              0.006989594           -0.003968234            0.0009017209          -0.0001842403           0.000350962           -0.0006832399           0.0007865736           0.0009629595     
   6657.4400000              0.01470704            -0.008403249            0.001920162           -0.0003923213           0.0007282674          -0.001402533            0.001732797            0.001882724      
   3130.2600000              0.03109209            -0.0179753              0.004141411           -0.0008464902           0.001625411           -0.003175317            0.00358064             0.004546442      
   1515.6100000              0.06402318            -0.03781603             0.008862935           -0.001811466            0.003335832           -0.006406116            0.008097814            0.008470707      
    752.5880000              0.1223119             -0.07530726             0.01816551            -0.003717044            0.007208186           -0.01414823             0.01558648             0.02070016       
    382.2490000              0.2021016             -0.1347303              0.03433784            -0.007029216            0.01278165            -0.02446125             0.03216552             0.03167919       
    198.2370000              0.2578689             -0.2004800              0.05584286            -0.01147243             0.02283162            -0.04539208             0.04720413             0.07012152       
    104.8100000              0.2105213             -0.2103662              0.06656064            -0.01370233             0.02334065            -0.04364678             0.06880884             0.04923578       
     56.3885000              0.09118179            -0.08099849             0.02553591            -0.005346494            0.01595276            -0.03593717             0.008728479            0.08273867       
     30.7830000              0.05811314             0.2019008             -0.1053112              0.02228982            -0.05434073             0.1158014             -0.06368039            -0.2216691        
     16.9770000              0.09982583             0.4684795             -0.3198780              0.06967914            -0.1136366              0.2189176             -0.4284988             -0.3170282        
      9.3972500              0.07825785             0.3716495             -0.3556905              0.0810406             -0.2099786              0.5339716             -0.7491074             -1.9510380        
      5.1723800              0.02124379             0.1005149              0.01130417            -0.007157706            0.09414343            -0.3667391              0.9663569              4.7655350        
      2.7953500              0.001490741            0.006557564            0.4740647             -0.1263160              0.2422684             -0.9950360              2.5473610             -0.8952648        
      1.4589000             -8.034167E-05          -0.001464478            0.5533553             -0.1946258              0.6087557             -0.7916657             -3.3894080             -5.7607260        
      0.7287110             -8.694162E-05          -0.0007554723           0.2082356             -0.1527500             -0.2343794              2.2174050             -0.1558572              6.4636960        
      0.2376420             -4.981296E-07          -4.298019E-05           0.0116683              0.1154243             -1.1416750              0.2946674              3.8360120             -4.0960100        
      0.1278210             -2.831761E-07           2.008032E-05          -0.002622343            0.3991441             -0.1782541             -1.7996860             -3.0972150              0.7479657        
      0.0618150             -3.684816E-07          -1.28462E-05            0.002690526            0.4799799              0.4035479              0.1028281             -0.6882707              2.4905270        
Cu    S
      0.0293030              1.0000000        
Cu    S
      9.2493000              1.0000000        
Cu    S
      3.2876000              1.0000000        
Cu    S
      0.0138900              1.0000000        
Cu    P
 110294.0000000              0.0000260             -0.0000090              0.0000020              0.0000040              0.0000070              0.0000090              0.0000120        
  26939.1000000              0.0000750             -0.0000270              0.0000050              0.0000100              0.0000200              0.0000260              0.0000370        
   8550.7100000              0.0002810             -0.0001020              0.0000200              0.0000400              0.0000790              0.0000900              0.0001290        
   3246.1900000              0.0009180             -0.0003340              0.0000650              0.0001260              0.0002440              0.0003330              0.0004600        
   1388.4600000              0.0029920             -0.0010910              0.0002140              0.0004320              0.0008600              0.0009350              0.0013520        
    642.4740000              0.0090870             -0.0033330              0.0006440              0.0012550              0.0024180              0.0033830              0.0046720        
    313.5700000              0.0255820             -0.0094840              0.0018640              0.0037740              0.0075320              0.0080790              0.0117990        
    159.1610000              0.0643480             -0.0243520              0.0047140              0.0091680              0.0176530              0.0250980              0.0349680        
     83.4414000              0.1376450             -0.0537450              0.0106300              0.0216050              0.0433520              0.0451110              0.0673370        
     45.0196000              0.2349520             -0.0953630              0.0184760              0.0355600              0.0676910              0.1032270              0.1440250        
     24.8894000              0.3047840             -0.1301120              0.0262980              0.0552330              0.1152020              0.1026140              0.1712510        
     13.9731000              0.2648080             -0.1056390              0.0196530              0.0354750              0.0737700              0.2345540              0.4656640        
      7.8257100              0.1241960              0.0508120             -0.0111480             -0.0139680             -0.0230050             -0.3024320             -1.3932960        
      4.2863200              0.0222350              0.2812260             -0.0686400             -0.1677020             -0.5121360             -0.8409990             -0.8568460        
      2.2903400             -0.0009000              0.4021990             -0.0915680             -0.1792800             -0.3816750             -0.1611940              3.0067100        
      1.1934200             -0.0017820              0.3078070             -0.0936840             -0.1598730              0.2588690              2.0920550             -1.3521260        
      0.5937650             -0.0006950              0.1096300              0.0390660              0.2578420              1.0576180             -1.1789640             -1.1255820        
      0.2244380             -0.0000370              0.0091710              0.3402200              0.6467550             -0.3088970             -0.7973400              1.8070530        
      0.0890540             -0.0000010             -0.0004380              0.5267450              0.2746030             -0.6050570              1.0105300             -1.0605300        
Cu    P
      0.0351590              1.0000000        
Cu    P
     14.0287000              1.0000000        
Cu    P
      4.5543000              1.0000000        
Cu    P
      0.0138800              1.0000000        
Cu    D
    772.5680000              0.0001330             -0.0001650              0.0001970             -0.0002760              0.0003980        
    226.9250000              0.0012050             -0.0014980              0.0018220             -0.0027780              0.0033780        
     87.1443000              0.0067640             -0.0084440              0.0102100             -0.0146190              0.0206020        
     38.2132000              0.0258160             -0.0324170              0.0398450             -0.0611040              0.0767260        
     17.9612000              0.0729480             -0.0938520              0.1178100             -0.1818600              0.3059720        
      8.8561500              0.1564260             -0.2065660              0.2756010             -0.4875970              0.6264760        
      4.4634420              0.2437200             -0.2911760              0.2897810             -0.0267970             -1.1729970        
      2.2373760              0.2867800             -0.1807960             -0.1939950              0.9955180             -0.3053710        
      1.0986540              0.2689430              0.1358870             -0.5830370             -0.0675450              1.6280130        
      0.5225900              0.1994720              0.3842560             -0.1696990             -0.9273900             -0.9952610        
      0.2368530              0.1028820              0.3645460              0.5171400              0.2357130             -0.4062770        
Cu    D
      0.0988750              1.0000000        
Cu    D
     10.8911000              1.0000000        
Cu    D
      6.4090000              1.0000000        
Cu    D
      0.0412800              1.0000000        
Cu    F
     16.3865000              1.0000000        
Cu    F
      7.2710000              1.0000000        
Cu    F
      3.2263000              1.0000000        
Cu    F
      1.4316000              1.0000000        
Cu    F
      0.4948000              1.0000000        
Cu    F
      0.1710200              1.0000000        
Cu    G
     11.5271000              1.0000000        
Cu    G
      5.7073000              1.0000000        
Cu    G
      2.8258000              1.0000000        
Cu    G
      1.0876000              1.0000000        
Cu    G
      0.4186000              1.0000000        
Cu    H
     10.0259000              1.0000000        
Cu    H
      4.8506000              1.0000000        
Cu    H
      2.0678000              1.0000000        
Cu    H
      0.8815000              1.0000000        
Cu    I
     10.0254000              1.0000000        
Cu    I
      4.8998000              1.0000000        
Cu    I
      2.3947200              1.0000000        
end
basis "Zn_aug-cc-pwCV5Z-DK" SPHERICAL
Zn    S
      1.87413E+08            1.32955E-05           -4.189355E-06           1.587541E-06          -3.216638E-07           8.970167E-07          -1.240683E-06           1.626315E-06           1.677404E-06     
      3.35127E+07            3.167949E-05          -9.983841E-06           3.783451E-06          -7.665877E-07           2.136911E-06          -2.956355E-06           3.878098E-06           3.984774E-06     
      7.50475E+06            8.906429E-05          -2.807705E-05           1.064027E-05          -2.155931E-06           6.014076E-06          -8.316677E-06           1.089554E-05           1.126999E-05     
      2.01787E+06            0.0002066572          -6.51837E-05            2.470467E-05          -5.00558E-06            1.394519E-05          -1.930012E-05           2.534641E-05           2.590042E-05     
 628578.0000000              0.0004548837          -0.0001436122           5.443301E-05          -1.102973E-05           3.080642E-05          -4.256985E-05           5.564508E-05           5.822197E-05     
 220163.0000000              0.0009443108          -0.0002985641           0.0001131937          -2.293461E-05           6.374807E-05          -8.835662E-05           0.0001165369           0.0001165111     
  84595.2000000              0.00192281            -0.0006093739           0.0002310621          -4.682742E-05           0.0001313128          -0.000181025            0.0002349487           0.0002549601     
  34955.5000000              0.003891104           -0.001237597            0.0004696011          -9.514057E-05           0.0002628654          -0.0003657439           0.0004877277           0.0004596676     
  15290.3000000              0.007964529           -0.002548436            0.0009673158          -0.0001961162           0.0005544613          -0.0007606877           0.0009730738           0.001135424      
   6994.9300000              0.01652745            -0.00534001             0.002030553           -0.0004113547           0.001125645           -0.001576167            0.002138865            0.001824378      
   3316.5900000              0.03446738            -0.01133271             0.004315288           -0.000875603            0.002501648           -0.003412004            0.004287427            0.005462728      
   1619.2400000              0.07020339            -0.02381435             0.009112518           -0.001846674            0.005000885           -0.00705628             0.009764826            0.007396035      
    810.3430000              0.1334825             -0.04800837             0.01848399            -0.003757805            0.01087524            -0.01474439             0.01818025             0.02556833       
    414.3930000              0.2218817             -0.0888337              0.03473297            -0.007052919            0.01880912            -0.02690687             0.03845584             0.0238386        
    216.0580000              0.2905487             -0.1410912              0.05649734            -0.01155813             0.03452653            -0.04624064             0.05456963             0.09502993       
    114.6350000              0.2514154             -0.1625539              0.06818806            -0.01392747             0.03443579            -0.05234725             0.08531694             0.006923243      
     61.7623000              0.1104322             -0.06570208             0.02848286            -0.006029029            0.02738852            -0.02986905             0.00837324             0.1880996        
     33.6924000              0.01654259             0.2026356             -0.1040963              0.02223314            -0.08427969             0.09875184            -0.06089183            -0.4031428        
     18.5315000              0.001175604            0.4792005             -0.3255060              0.0707465             -0.1705452              0.2937935             -0.5785153             -0.2440123        
     10.2144000              4.394482E-06           0.3835192             -0.3639222              0.08410092            -0.3495087              0.5744894             -1.1032020             -2.6311870        
      5.5942800              5.086233E-05           0.1036154              0.0148837             -0.009538366            0.2018431             -0.4751036              2.2840940              8.5665470        
      3.0096800             -8.735267E-05           0.00913744             0.4842177             -0.1293246              0.4776662             -1.5175250              2.2290710             -8.5502990        
      1.5668400              1.185909E-05           0.001425789            0.5547911             -0.2048438              0.8519198              0.09945024            -6.1223910              1.5561710        
      0.7814370             -1.239493E-05           0.0003278608           0.1974334             -0.1509100             -0.8356815              2.4779920              3.5202910              3.8758550        
      0.2581180              4.864255E-06           7.459593E-06           0.008659206            0.1434650             -1.4250480             -1.6658000              1.7479200             -7.7835480        
      0.1385560             -3.929613E-06           8.4389E-06            -0.002571016            0.4156941              0.5713802             -0.7478743             -3.8325180              7.9747250        
      0.0661710              1.707123E-06          -4.561934E-06           0.0007635916           0.4761157              0.5322771              0.9641101              1.7443180             -2.8277670        
Zn    S
      0.0309860              1.0000000        
Zn    S
     10.4638000              1.0000000        
Zn    S
      3.9705000              1.0000000        
Zn    S
      0.0145100              1.0000000        
Zn    P
 110349.0000000              0.0000290             -0.0000110              0.0000020              0.0000040             -0.0000080              0.0000100              0.0000140        
  26971.3000000              0.0000860             -0.0000320              0.0000060              0.0000100             -0.0000230              0.0000290              0.0000380        
   8560.0700000              0.0003190             -0.0001200              0.0000220              0.0000400             -0.0000890              0.0001020              0.0001520        
   3248.8000000              0.0010420             -0.0003920              0.0000720              0.0001270             -0.0002780              0.0003700              0.0004590        
   1389.4100000              0.0033820             -0.0012760              0.0002370              0.0004290             -0.0009650              0.0010620              0.0016600        
    643.0430000              0.0102180             -0.0038800              0.0007110              0.0012540             -0.0027350              0.0037250              0.0045180        
    314.0050000              0.0285420             -0.0109680              0.0020410              0.0037040             -0.0083440              0.0090710              0.0145030        
    159.4890000              0.0709800             -0.0278670              0.0051170              0.0090070             -0.0196410              0.0271760              0.0328420        
     83.6662000              0.1489460             -0.0604080              0.0113250              0.0206180             -0.0466850              0.0492880              0.0828600        
     45.1574000              0.2476940             -0.1045170              0.0192410              0.0335950             -0.0724680              0.1068350              0.1181970        
     24.9630000              0.3081340             -0.1367160              0.0262580              0.0492430             -0.1171690              0.1107210              0.2543090        
     14.0043000              0.2485630             -0.0949910              0.0163940              0.0268980             -0.0661700              0.2171670              0.2760680        
      7.8326700              0.1053980              0.0828040             -0.0177270             -0.0259740              0.0672210             -0.3921410             -1.4206840        
      4.2841000              0.0180980              0.3099380             -0.0728180             -0.1537760              0.5455140             -0.8336390             -0.5341910        
      2.2890100              0.0018050              0.4014410             -0.0887520             -0.1514190              0.2986520              0.0643050              2.8985470        
      1.1943600              0.0005080              0.2798230             -0.0839300             -0.1407890             -0.3006940              1.9844580             -1.5851120        
      0.5942580              0.0001340              0.0844380              0.0543040              0.2265360             -1.0330560             -1.3037680             -0.9388230        
      0.2272730              0.0000180              0.0057710              0.3485410              0.6573710              0.3363690             -0.6698580              1.8070550        
      0.0901660             -0.0000020             -0.0000180              0.5191090              0.2855030              0.5663970              0.9791770             -1.1246340        
Zn    P
      0.0356510              1.0000000        
Zn    P
     15.0735000              1.0000000        
Zn    P
      4.7557000              1.0000000        
Zn    P
      0.0141000              1.0000000        
Zn    D
    926.9627000              0.0001140              0.0001590              0.0001770             -0.0002180              0.0003280        
    270.1065000              0.0010450              0.0014620              0.0016750             -0.0022710              0.0028660        
    102.9159000              0.0060400              0.0084850              0.0096030             -0.0120740              0.0177090        
     44.8868000              0.0238440              0.0337380              0.0389100             -0.0531800              0.0688210        
     21.0709200              0.0688060              0.0998900              0.1173870             -0.1581770              0.2715290        
     10.4233800              0.1498840              0.2254390              0.2969250             -0.4540890              0.6502930        
      5.3068920              0.2374320              0.3226860              0.2963580             -0.0494540             -1.0108450        
      2.7032700              0.2844710              0.1867430             -0.3097160              0.9554020             -0.5947150        
      1.3536570              0.2718060             -0.1836600             -0.5814690             -0.0124550              1.7472200        
      0.6588680              0.2029220             -0.4166810             -0.0557460             -1.0231310             -0.8204530        
      0.3075040              0.1027770             -0.3112890              0.5580510              0.2646770             -0.6823180        
Zn    D
      0.1332210              1.0000000        
Zn    D
     11.6620000              1.0000000        
Zn    D
      7.2916000              1.0000000        
Zn    D
      0.0577200              1.0000000        
Zn    F
     17.7978000              1.0000000        
Zn    F
      7.9981000              1.0000000        
Zn    F
      3.5942000              1.0000000        
Zn    F
      1.6152000              1.0000000        
Zn    F
      0.5673000              1.0000000        
Zn    F
      0.1992500              1.0000000        
Zn    G
     12.8657000              1.0000000        
Zn    G
      6.4248000              1.0000000        
Zn    G
      3.2084000              1.0000000        
Zn    G
      1.2524000              1.0000000        
Zn    G
      0.4888700              1.0000000        
Zn    H
     11.1996000              1.0000000        
Zn    H
      5.4804000              1.0000000        
Zn    H
      2.3903000              1.0000000        
Zn    H
      1.0425400              1.0000000        
Zn    I
     11.0549000              1.0000000        
Zn    I
      5.6334000              1.0000000        
Zn    I
      2.8706900              1.0000000        
end
