# BSE Version v0.8.4+29.gb6d6a1b
# Data downloaded at 2019-06-24T14:04
# aug-cc-pwcvqz version number 0
# Description: QZ3P    Quadruple Zeta + Polarization + Tight Core + diffuse
# Role: orbital
# 
# ********************************************************************************
# If you downloaded data from the basis set
# exchange or used the basis set exchange python library, please cite:
# ********************************************************************************
#     Pritchard, Benjamin P., Altarawy, Doaa, Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     Manuscript in preparation
# 
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem., 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model., 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# ********************************************************************************
# References for the basis set
# ********************************************************************************
# B-Ne
#     ## cc-pVQZ
#     Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. I.
#             The atoms boron through neon and hydrogen
#     J. Chem. Phys., 90, 1007-1023 (1989)
#     10.1063/1.456153
# 
#     ## aug-cc-pVQZ Diffuse
#     Kendall, Rick A., Dunning, Thom H., Harrison, Robert J.
#     Electron affinities of the first-row atoms revisited. Systematic basis
#             sets and wave functions
#     J. Chem. Phys., 96, 6796-6806 (1992)
#     10.1063/1.462569
# 
#     ## 3T      Tight Functions
#     Peterson, Kirk A., Dunning, Thom H.
#     Accurate correlation consistent basis sets for molecular core-valence
#             correlation effects: The second row atoms Al-Ar, and the first
#             row atoms B-Ne revisited
#     J. Chem. Phys., 117, 10548-10560 (2002)
#     10.1063/1.1520138
# 
# Al-Ar
#     ## cc-pVQZ
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. III.
#             The atoms aluminum through argon
#     J. Chem. Phys., 98, 1358-1371 (1993)
#     10.1063/1.464303
# 
#     ## aug-cc-pVQZ Diffuse
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. III.
#             The atoms aluminum through argon
#     J. Chem. Phys., 98, 1358-1371 (1993)
#     10.1063/1.464303
# 
#     ## 3T      Tight Functions
#     Peterson, Kirk A., Dunning, Thom H.
#     Accurate correlation consistent basis sets for molecular core-valence
#             correlation effects: The second row atoms Al-Ar, and the first
#             row atoms B-Ne revisited
#     J. Chem. Phys., 117, 10548-10560 (2002)
#     10.1063/1.1520138
# 
# Sc-Zn
#     ## cc-pVQZ
#     Balabanov, Nikolai B., Peterson, Kirk A.
#     Systematically convergent basis sets for transition metals. I. All-
#             electron correlation consistent basis sets for the 3d elements
#             Sc-Zn
#     J. Chem. Phys., 123, 064107 (2005)
#     10.1063/1.1998907
# 
#     ## QZ3P    All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization
#     Balabanov, Nikolai B., Peterson, Kirk A.
#     Systematically convergent basis sets for transition metals. I. All-
#             electron correlation consistent basis sets for the 3d elements
#             Sc-Zn
#     J. Chem. Phys., 123, 064107 (2005)
#     10.1063/1.1998907
# 
#     ## aug-cc-pVQZ Diffuse
#     Balabanov, Nikolai B., Peterson, Kirk A.
#     Systematically convergent basis sets for transition metals. I. All-
#             electron correlation consistent basis sets for the 3d elements
#             Sc-Zn
#     J. Chem. Phys., 123, 064107 (2005)
#     10.1063/1.1998907
# 
# Br
#     ## cc-pVQZ
#     Wilson, Angela K., Woon, David E., Peterson, Kirk A., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IX.
#             The atoms gallium through krypton
#     J. Chem. Phys., 110, 7667-7676 (1999)
#     10.1063/1.478678
# 
#     ## aug-cc-pVQZ Diffuse
#     Wilson, Angela K., Woon, David E., Peterson, Kirk A., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IX.
#             The atoms gallium through krypton
#     J. Chem. Phys., 110, 7667-7676 (1999)
#     10.1063/1.478678
# 
#     ## 3T      Tight Functions
#     (...no reference...)
# 
# # 
basis "B_aug-cc-pwcvqz" 
#basis SET: (25s,10p,6d,4f,2g) -> [9s,8p,6d,4f,2g]
B    S
  23870.0000000              0.0000880
   3575.0000000              0.0006870
    812.8000000              0.0036000
    229.7000000              0.0149490
     74.6900000              0.0514350
     26.8100000              0.1433020
     10.3200000              0.3009350
      4.1780000              0.4035260
      1.7270000              0.2253400
B    S
  23870.0000000             -0.0000180
   3575.0000000             -0.0001390
    812.8000000             -0.0007250
    229.7000000             -0.0030630
     74.6900000             -0.0105810
     26.8100000             -0.0313650
     10.3200000             -0.0710120
      4.1780000             -0.1321030
      1.7270000             -0.1230720
B    S
     28.788                  1.000000
B    S
     10.414                  1.000000
B    S
      3.7680                 1.000000
B    S
      0.4704000              1.0000000
B    S
      0.1896000              1.0000000
B    S
      0.0739400              1.0000000
B    S
      0.0272100              1.0000000
B    P
     22.2600000              0.0050950
      5.0580000              0.0332060
      1.4870000              0.1323140
B    P
     36.971                  1.000000
B    P
     11.925                  1.000000
B    P
      3.8470                 1.000000
B    P
      0.5071000              1.0000000
B    P
      0.1812000              1.0000000
B    P
      0.0646300              1.0000000
B    P
      0.0187800              1.0000000
B    D
     16.574                  1.000000
B    D
      3.7180                 1.000000
B    D
      1.1100000              1.0000000
B    D
      0.4020000              1.0000000
B    D
      0.1450000              1.0000000
B    D
      0.0466000              1.0000000
B    F
      3.6920                 1.000000
B    F
      0.8820000              1.0000000
B    F
      0.3110000              1.0000000
B    F
      0.1130000              1.0000000
B    G
      0.6730000              1.0000000
B    G
      0.2730000              1.0000000
end
basis "C_aug-cc-pwcvqz" 
#basis SET: (25s,10p,6d,4f,2g) -> [9s,8p,6d,4f,2g]
C    S
  33980.0000000              0.0000910
   5089.0000000              0.0007040
   1157.0000000              0.0036930
    326.6000000              0.0153600
    106.1000000              0.0529290
     38.1100000              0.1470430
     14.7500000              0.3056310
      6.0350000              0.3993450
      2.5300000              0.2170510
C    S
  33980.0000000             -0.0000190
   5089.0000000             -0.0001510
   1157.0000000             -0.0007850
    326.6000000             -0.0033240
    106.1000000             -0.0115120
     38.1100000             -0.0341600
     14.7500000             -0.0771730
      6.0350000             -0.1414930
      2.5300000             -0.1180190
C    S
     40.881                  1.000000
C    S
     15.109                  1.000000
C    S
      5.5840                 1.000000
C    S
      0.7355000              1.0000000
C    S
      0.2905000              1.0000000
C    S
      0.1111000              1.0000000
C    S
      0.0414500              1.0000000
C    P
     34.5100000              0.0053780
      7.9150000              0.0361320
      2.3680000              0.1424930
C    P
     54.382                  1.000000
C    P
     18.057                  1.000000
C    P
      5.9960                 1.000000
C    P
      0.8132000              1.0000000
C    P
      0.2890000              1.0000000
C    P
      0.1007000              1.0000000
C    P
      0.0321800              1.0000000
C    D
     22.804                  1.000000
C    D
      5.8880                 1.000000
C    D
      1.8480000              1.0000000
C    D
      0.6490000              1.0000000
C    D
      0.2280000              1.0000000
C    D
      0.0766000              1.0000000
C    F
      6.1160                 1.000000
C    F
      1.4190000              1.0000000
C    F
      0.4850000              1.0000000
C    F
      0.1870000              1.0000000
C    G
      1.0110000              1.0000000
C    G
      0.4240000              1.0000000
end
basis "N_aug-cc-pwcvqz" 
#basis SET: (25s,10p,6d,4f,2g) -> [9s,8p,6d,4f,2g]
N    S
  45840.0000000              0.0000920
   6868.0000000              0.0007170
   1563.0000000              0.0037490
    442.4000000              0.0155320
    144.3000000              0.0531460
     52.1800000              0.1467870
     20.3400000              0.3046630
      8.3810000              0.3976840
      3.5290000              0.2176410
N    S
  45840.0000000             -0.0000200
   6868.0000000             -0.0001590
   1563.0000000             -0.0008240
    442.4000000             -0.0034780
    144.3000000             -0.0119660
     52.1800000             -0.0353880
     20.3400000             -0.0800770
      8.3810000             -0.1467220
      3.5290000             -0.1163600
N    S
     54.917                  1.000000
N    S
     20.735                  1.000000
N    S
      7.8290                 1.000000
N    S
      1.0540000              1.0000000
N    S
      0.4118000              1.0000000
N    S
      0.1552000              1.0000000
N    S
      0.0546400              1.0000000
N    P
     49.3300000              0.0055330
     11.3700000              0.0379620
      3.4350000              0.1490280
N    P
     74.185                  1.000000
N    P
     25.190                  1.000000
N    P
      8.5540                 1.000000
N    P
      1.1820000              1.0000000
N    P
      0.4173000              1.0000000
N    P
      0.1428000              1.0000000
N    P
      0.0440200              1.0000000
N    D
     31.167                  1.000000
N    D
      8.6930                 1.000000
N    D
      2.8370000              1.0000000
N    D
      0.9680000              1.0000000
N    D
      0.3350000              1.0000000
N    D
      0.1110000              1.0000000
N    F
      8.9720                 1.000000
N    F
      2.0270000              1.0000000
N    F
      0.6850000              1.0000000
N    F
      0.2450000              1.0000000
N    G
      1.4270000              1.0000000
N    G
      0.5590000              1.0000000
end
basis "O_aug-cc-pwcvqz" 
#basis SET: (25s,10p,6d,4f,2g) -> [9s,8p,6d,4f,2g]
O    S
  61420.0000000              0.0000900
   9199.0000000              0.0006980
   2091.0000000              0.0036640
    590.9000000              0.0152180
    192.3000000              0.0524230
     69.3200000              0.1459210
     26.9700000              0.3052580
     11.1000000              0.3985080
      4.6820000              0.2169800
O    S
  61420.0000000             -0.0000200
   9199.0000000             -0.0001590
   2091.0000000             -0.0008290
    590.9000000             -0.0035080
    192.3000000             -0.0121560
     69.3200000             -0.0362610
     26.9700000             -0.0829920
     11.1000000             -0.1520900
      4.6820000             -0.1153310
O    S
     71.206                  1.000000
O    S
     27.314                  1.000000
O    S
     10.478                  1.000000
O    S
      1.4280000              1.0000000
O    S
      0.5547000              1.0000000
O    S
      0.2067000              1.0000000
O    S
      0.0695900              1.0000000
O    P
     63.4200000              0.0060440
     14.6600000              0.0417990
      4.4590000              0.1611430
O    P
     94.398                  1.000000
O    P
     32.459                  1.000000
O    P
     11.161                  1.000000
O    P
      1.5310000              1.0000000
O    P
      0.5302000              1.0000000
O    P
      0.1750000              1.0000000
O    P
      0.0534800              1.0000000
O    D
     39.239                  1.000000
O    D
     11.469                  1.000000
O    D
      3.7750000              1.0000000
O    D
      1.3000000              1.0000000
O    D
      0.4440000              1.0000000
O    D
      0.1540000              1.0000000
O    F
     12.163                  1.000000
O    F
      2.6660000              1.0000000
O    F
      0.8590000              1.0000000
O    F
      0.3240000              1.0000000
O    G
      1.8460000              1.0000000
O    G
      0.7140000              1.0000000
end
basis "F_aug-cc-pwcvqz" 
#basis SET: (25s,10p,6d,4f,2g) -> [9s,8p,6d,4f,2g]
F    S
  74530.0000000              0.0000950
  11170.0000000              0.0007380
   2543.0000000              0.0038580
    721.0000000              0.0159260
    235.9000000              0.0542890
     85.6000000              0.1495130
     33.5500000              0.3082520
     13.9300000              0.3948530
      5.9150000              0.2110310
F    S
  74530.0000000             -0.0000220
  11170.0000000             -0.0001720
   2543.0000000             -0.0008910
    721.0000000             -0.0037480
    235.9000000             -0.0128620
     85.6000000             -0.0380610
     33.5500000             -0.0862390
     13.9300000             -0.1558650
      5.9150000             -0.1109140
F    S
     88.880                  1.000000
F    S
     34.581                  1.000000
F    S
     13.454                  1.000000
F    S
      1.8430000              1.0000000
F    S
      0.7124000              1.0000000
F    S
      0.2637000              1.0000000
F    S
      0.0859400              1.0000000
F    P
     80.3900000              0.0063470
     18.6300000              0.0442040
      5.6940000              0.1685140
F    P
    117.339                  1.000000
F    P
     40.862                  1.000000
F    P
     14.230                  1.000000
F    P
      1.9530000              1.0000000
F    P
      0.6702000              1.0000000
F    P
      0.2166000              1.0000000
F    P
      0.0656800              1.0000000
F    D
     49.610                  1.000000
F    D
     15.000                  1.000000
F    D
      5.0140000              1.0000000
F    D
      1.7250000              1.0000000
F    D
      0.5860000              1.0000000
F    D
      0.2070000              1.0000000
F    F
     16.168                  1.000000
F    F
      3.5620000              1.0000000
F    F
      1.1480000              1.0000000
F    F
      0.4600000              1.0000000
F    G
      2.3760000              1.0000000
F    G
      0.9240000              1.0000000
end
basis "Ne_aug-cc-pwcvqz" 
#basis SET: (25s,10p,6d,4f,2g) -> [9s,8p,6d,4f,2g]
Ne    S
  99920.0000000              0.0000860
  14960.0000000              0.0006690
   3399.0000000              0.0035180
    958.9000000              0.0146670
    311.2000000              0.0509620
    111.7000000              0.1437440
     43.3200000              0.3045620
     17.8000000              0.4001050
      7.5030000              0.2186440
Ne    S
  99920.0000000             -0.0000200
  14960.0000000             -0.0001580
   3399.0000000             -0.0008240
    958.9000000             -0.0035000
    311.2000000             -0.0122330
    111.7000000             -0.0370170
     43.3200000             -0.0861130
     17.8000000             -0.1583810
      7.5030000             -0.1142880
Ne    S
    108.870                  1.000000
Ne    S
     42.923                  1.000000
Ne    S
     16.923                  1.000000
Ne    S
      2.3370000              1.0000000
Ne    S
      0.9001000              1.0000000
Ne    S
      0.3301000              1.0000000
Ne    S
      0.1054000              1.0000000
Ne    P
     99.6800000              0.0065660
     23.1500000              0.0459790
      7.1080000              0.1734190
Ne    P
    142.701                  1.000000
Ne    P
     50.291                  1.000000
Ne    P
     17.724                  1.000000
Ne    P
      2.4410000              1.0000000
Ne    P
      0.8339000              1.0000000
Ne    P
      0.2662000              1.0000000
Ne    P
      0.0817800              1.0000000
Ne    D
     61.555                  1.000000
Ne    D
     19.104                  1.000000
Ne    D
      6.4710000              1.0000000
Ne    D
      2.2130000              1.0000000
Ne    D
      0.7470000              1.0000000
Ne    D
      0.2730000              1.0000000
Ne    F
     20.877                  1.000000
Ne    F
      4.6570000              1.0000000
Ne    F
      1.5240000              1.0000000
Ne    F
      0.6890000              1.0000000
Ne    G
      2.9830000              1.0000000
Ne    G
      1.2240000              1.0000000
end
basis "Al_aug-cc-pwcvqz" 
#basis SET: (46s,23p,7d,5f,3g) -> [10s,9p,7d,5f,3g]
Al    S
 419600.0000000              0.278219E-04
  62830.0000000              0.216330E-03
  14290.0000000              0.113754E-02
   4038.0000000              0.479635E-02
   1312.0000000              0.172389E-01
    470.5000000              0.538066E-01
    181.8000000              0.141326E+00
     74.4600000              0.289268E+00
     31.9000000              0.384825E+00
     13.9600000              0.232852E+00
      5.1800000              0.293330E-01
      2.2650000             -0.300574E-02
      0.9664000              0.166673E-02
Al    S
 419600.0000000             -0.723754E-05
  62830.0000000             -0.561733E-04
  14290.0000000             -0.296528E-03
   4038.0000000             -0.124913E-02
   1312.0000000             -0.455101E-02
    470.5000000             -0.144393E-01
    181.8000000             -0.403464E-01
     74.4600000             -0.922618E-01
     31.9000000             -0.164510E+00
     13.9600000             -0.141296E+00
      5.1800000              0.195365E+00
      2.2650000              0.572475E+00
      0.9664000              0.374041E+00
Al    S
 419600.0000000              0.167150E-05
  62830.0000000              0.129641E-04
  14290.0000000              0.685101E-04
   4038.0000000              0.288274E-03
   1312.0000000              0.105276E-02
    470.5000000              0.333878E-02
    181.8000000              0.939217E-02
     74.4600000              0.216047E-01
     31.9000000              0.395873E-01
     13.9600000              0.349180E-01
      5.1800000             -0.528415E-01
      2.2650000             -0.191878E+00
      0.9664000             -0.254115E+00
Al    S
      8.549                  1.000000
Al    S
      3.916                  1.000000
Al    S
      1.794                  1.000000
Al    S
      0.2447000              1.0000000
Al    S
      0.1184000              1.0000000
Al    S
      0.0502100              1.0000000
Al    S
      0.0183000              1.0000000
Al    P
    891.3000000              0.491755E-03
    211.3000000              0.415843E-02
     68.2800000              0.212538E-01
     25.7000000              0.764058E-01
     10.6300000              0.194277E+00
      4.6020000              0.334428E+00
      2.0150000              0.375026E+00
      0.8706000              0.204041E+00
Al    P
    891.3000000             -0.888695E-04
    211.3000000             -0.745823E-03
     68.2800000             -0.387025E-02
     25.7000000             -0.139350E-01
     10.6300000             -0.366860E-01
      4.6020000             -0.627797E-01
      2.0150000             -0.789602E-01
      0.8706000             -0.288589E-01
Al    P
      9.740                  1.000000
Al    P
      4.468                  1.000000
Al    P
      2.049                  1.000000
Al    P
      0.2972000              1.0000000
Al    P
      0.1100000              1.0000000
Al    P
      0.0398900              1.0000000
Al    P
      0.0121000              1.0000000
Al    D
     10.960                  1.000000
Al    D
      3.887                  1.000000
Al    D
      1.379                  1.000000
Al    D
      0.4940000              1.0000000
Al    D
      0.1990000              1.0000000
Al    D
      0.0804000              1.0000000
Al    D
      0.0282000              1.0000000
Al    F
      6.814                  1.000000
Al    F
      1.463                  1.000000
Al    F
      0.4010000              1.0000000
Al    F
      0.1540000              1.0000000
Al    F
      0.0582000              1.0000000
Al    G
      1.645                  1.000000
Al    G
      0.3570000              1.0000000
Al    G
      0.1530000              1.0000000
end
basis "Si_aug-cc-pwcvqz" 
#basis SET: (46s,23p,7d,5f,3g) -> [10s,9p,7d,5f,3g]
Si    S
 513000.0000000              0.260920E-04
  76820.0000000              0.202905E-03
  17470.0000000              0.106715E-02
   4935.0000000              0.450597E-02
   1602.0000000              0.162359E-01
    574.1000000              0.508913E-01
    221.5000000              0.135155E+00
     90.5400000              0.281292E+00
     38.7400000              0.385336E+00
     16.9500000              0.245651E+00
      6.4520000              0.343145E-01
      2.8740000             -0.334884E-02
      1.2500000              0.187625E-02
Si    S
 513000.0000000             -0.694880E-05
  76820.0000000             -0.539641E-04
  17470.0000000             -0.284716E-03
   4935.0000000             -0.120203E-02
   1602.0000000             -0.438397E-02
    574.1000000             -0.139776E-01
    221.5000000             -0.393516E-01
     90.5400000             -0.914283E-01
     38.7400000             -0.165609E+00
     16.9500000             -0.152505E+00
      6.4520000              0.168524E+00
      2.8740000              0.569284E+00
      1.2500000              0.398056E+00
Si    S
 513000.0000000              0.178068E-05
  76820.0000000              0.138148E-04
  17470.0000000              0.730005E-04
   4935.0000000              0.307666E-03
   1602.0000000              0.112563E-02
    574.1000000              0.358435E-02
    221.5000000              0.101728E-01
     90.5400000              0.237520E-01
     38.7400000              0.443483E-01
     16.9500000              0.419041E-01
      6.4520000             -0.502504E-01
      2.8740000             -0.216578E+00
      1.2500000             -0.286448E+00
Si    S
     10.842                  1.000000
Si    S
      5.122                  1.000000
Si    S
      2.420                  1.000000
Si    S
      0.3599000              1.0000000
Si    S
      0.1699000              1.0000000
Si    S
      0.0706600              1.0000000
Si    S
      0.0275000              1.0000000
Si    P
   1122.0000000              0.448143E-03
    266.0000000              0.381639E-02
     85.9200000              0.198105E-01
     32.3300000              0.727017E-01
     13.3700000              0.189839E+00
      5.8000000              0.335672E+00
      2.5590000              0.379365E+00
      1.1240000              0.201193E+00
Si    P
   1122.0000000             -0.964883E-04
    266.0000000             -0.811971E-03
     85.9200000             -0.430087E-02
     32.3300000             -0.157502E-01
     13.3700000             -0.429541E-01
      5.8000000             -0.752574E-01
      2.5590000             -0.971446E-01
      1.1240000             -0.227507E-01
Si    P
     11.670                  1.000000
Si    P
      5.468                  1.000000
Si    P
      2.562                  1.000000
Si    P
      0.3988000              1.0000000
Si    P
      0.1533000              1.0000000
Si    P
      0.0572800              1.0000000
Si    P
      0.0200000              1.0000000
Si    D
     15.195                  1.000000
Si    D
      5.472                  1.000000
Si    D
      1.970                  1.000000
Si    D
      0.7600000              1.0000000
Si    D
      0.3020000              1.0000000
Si    D
      0.1200000              1.0000000
Si    D
      0.0435000              1.0000000
Si    F
      8.537                  1.000000
Si    F
      1.857                  1.000000
Si    F
      0.5410000              1.0000000
Si    F
      0.2120000              1.0000000
Si    F
      0.0846000              1.0000000
Si    G
      1.934                  1.000000
Si    G
      0.4610000              1.0000000
Si    G
      0.2120000              1.0000000
end
basis "P_aug-cc-pwcvqz" 
#basis SET: (46s,23p,7d,5f,3g) -> [10s,9p,7d,5f,3g]
P    S
 615200.0000000              0.247450E-04
  92120.0000000              0.192465E-03
  20950.0000000              0.101202E-02
   5920.0000000              0.427261E-02
   1922.0000000              0.154161E-01
    688.0000000              0.485976E-01
    265.0000000              0.130060E+00
    108.2000000              0.274514E+00
     46.2200000              0.385402E+00
     20.2300000              0.255934E+00
      7.8590000              0.391237E-01
      3.5470000             -0.368010E-02
      1.5640000              0.208211E-02
P    S
 615200.0000000             -0.672205E-05
  92120.0000000             -0.522311E-04
  20950.0000000             -0.275361E-03
   5920.0000000             -0.116307E-02
   1922.0000000             -0.424281E-02
    688.0000000             -0.136114E-01
    265.0000000             -0.385114E-01
    108.2000000             -0.906643E-01
     46.2200000             -0.166584E+00
     20.2300000             -0.161447E+00
      7.8590000              0.146781E+00
      3.5470000              0.566682E+00
      1.5640000              0.416433E+00
P    S
 615200.0000000              0.184740E-05
  92120.0000000              0.143380E-04
  20950.0000000              0.757228E-04
   5920.0000000              0.319205E-03
   1922.0000000              0.116851E-02
    688.0000000              0.374267E-02
    265.0000000              0.106817E-01
    108.2000000              0.252657E-01
     46.2200000              0.479283E-01
     20.2300000              0.477096E-01
      7.8590000             -0.466525E-01
      3.5470000             -0.234968E+00
      1.5640000             -0.311337E+00
P    S
     13.298                  1.000000
P    S
      6.434                  1.000000
P    S
      3.113                  1.000000
P    S
      0.4888000              1.0000000
P    S
      0.2266000              1.0000000
P    S
      0.0933100              1.0000000
P    S
      0.0354000              1.0000000
P    P
   1367.0000000              0.421015E-03
    324.0000000              0.360985E-02
    104.6000000              0.189217E-01
     39.3700000              0.705560E-01
     16.2600000              0.188157E+00
      7.0560000              0.338709E+00
      3.1300000              0.381943E+00
      1.3940000              0.195261E+00
P    P
   1367.0000000             -0.100827E-03
    324.0000000             -0.854499E-03
    104.6000000             -0.457116E-02
     39.3700000             -0.170327E-01
     16.2600000             -0.475204E-01
      7.0560000             -0.852786E-01
      3.1300000             -0.109676E+00
      1.3940000             -0.161181E-01
P    P
     14.060                  1.000000
P    P
      6.615                  1.000000
P    P
      3.112                  1.000000
P    P
      0.5179000              1.0000000
P    P
      0.2032000              1.0000000
P    P
      0.0769800              1.0000000
P    P
      0.0272000              1.0000000
P    D
     19.566                  1.000000
P    D
      7.119                  1.000000
P    D
      2.590                  1.000000
P    D
      1.0360000              1.0000000
P    D
      0.4130000              1.0000000
P    D
      0.1650000              1.0000000
P    D
      0.0594000              1.0000000
P    F
     10.518                  1.000000
P    F
      2.310                  1.000000
P    F
      0.7030000              1.0000000
P    F
      0.2800000              1.0000000
P    F
      0.1090000              1.0000000
P    G
      2.328                  1.000000
P    G
      0.5970000              1.0000000
P    G
      0.2500000              1.0000000
end
basis "S_aug-cc-pwcvqz" 
#basis SET: (46s,23p,7d,5f,3g) -> [10s,9p,7d,5f,3g]
S    S
 727800.0000000              0.236025E-04
 109000.0000000              0.183482E-03
  24800.0000000              0.964278E-03
   7014.0000000              0.406537E-02
   2278.0000000              0.146973E-01
    814.7000000              0.465081E-01
    313.4000000              0.125508E+00
    127.7000000              0.268433E+00
     54.4800000              0.384809E+00
     23.8500000              0.265372E+00
      9.4280000              0.437326E-01
      4.2900000             -0.378807E-02
      1.9090000              0.218083E-02
S    S
 727800.0000000             -0.652179E-05
 109000.0000000             -0.506631E-04
  24800.0000000             -0.266833E-03
   7014.0000000             -0.112601E-02
   2278.0000000             -0.411186E-02
    814.7000000             -0.132454E-01
    313.4000000             -0.377004E-01
    127.7000000             -0.898554E-01
     54.4800000             -0.167098E+00
     23.8500000             -0.169354E+00
      9.4280000              0.127824E+00
      4.2900000              0.564862E+00
      1.9090000              0.431767E+00
S    S
 727800.0000000              0.189406E-05
 109000.0000000              0.146948E-04
  24800.0000000              0.775460E-04
   7014.0000000              0.326509E-03
   2278.0000000              0.119686E-02
    814.7000000              0.384799E-02
    313.4000000              0.110539E-01
    127.7000000              0.264645E-01
     54.4800000              0.508771E-01
     23.8500000              0.530030E-01
      9.4280000             -0.425518E-01
      4.2900000             -0.250853E+00
      1.9090000             -0.333152E+00
S    S
     15.901                  1.000000
S    S
      7.780                  1.000000
S    S
      3.807                  1.000000
S    S
      0.6270000              1.0000000
S    S
      0.2873000              1.0000000
S    S
      0.1172000              1.0000000
S    S
      0.0428000              1.0000000
S    P
   1546.0000000              0.441183E-03
    366.4000000              0.377571E-02
    118.4000000              0.198360E-01
     44.5300000              0.742063E-01
     18.3800000              0.197327E+00
      7.9650000              0.351851E+00
      3.5410000              0.378687E+00
      1.5910000              0.170931E+00
S    P
   1546.0000000             -0.113110E-03
    366.4000000             -0.958581E-03
    118.4000000             -0.513471E-02
     44.5300000             -0.192641E-01
     18.3800000             -0.535980E-01
      7.9650000             -0.960333E-01
      3.5410000             -0.118183E+00
      1.5910000              0.923194E-02
S    P
     16.139                  1.000000
S    P
      7.539                  1.000000
S    P
      3.522                  1.000000
S    P
      0.6205000              1.0000000
S    P
      0.2420000              1.0000000
S    P
      0.0901400              1.0000000
S    P
      0.0317000              1.0000000
S    D
     23.323                  1.000000
S    D
      8.524                  1.000000
S    D
      3.116                  1.000000
S    D
      1.2500000              1.0000000
S    D
      0.5040000              1.0000000
S    D
      0.2030000              1.0000000
S    D
      0.0748000              1.0000000
S    F
     12.703                  1.000000
S    F
      2.801                  1.000000
S    F
      0.8690000              1.0000000
S    F
      0.3350000              1.0000000
S    F
      0.1400000              1.0000000
S    G
      2.739                  1.000000
S    G
      0.6830000              1.0000000
S    G
      0.2970000              1.0000000
end
basis "Cl_aug-cc-pwcvqz" 
#basis SET: (46s,23p,7d,5f,3g) -> [10s,9p,7d,5f,3g]
Cl    S
 834900.0000000              0.231688E-04
 125000.0000000              0.180154E-03
  28430.0000000              0.947782E-03
   8033.0000000              0.400139E-02
   2608.0000000              0.144629E-01
    933.9000000              0.456586E-01
    360.0000000              0.123248E+00
    147.0000000              0.264369E+00
     62.8800000              0.382989E+00
     27.6000000              0.270934E+00
     11.0800000              0.471404E-01
      5.0750000             -0.371766E-02
      2.2780000              0.219158E-02
Cl    S
 834900.0000000             -0.649649E-05
 125000.0000000             -0.504895E-04
  28430.0000000             -0.266113E-03
   8033.0000000             -0.112499E-02
   2608.0000000             -0.410497E-02
    933.9000000             -0.131987E-01
    360.0000000             -0.375342E-01
    147.0000000             -0.897233E-01
     62.8800000             -0.167671E+00
     27.6000000             -0.174763E+00
     11.0800000              0.114909E+00
      5.0750000              0.563618E+00
      2.2780000              0.441606E+00
Cl    S
 834900.0000000              0.196645E-05
 125000.0000000              0.152620E-04
  28430.0000000              0.806086E-04
   8033.0000000              0.339960E-03
   2608.0000000              0.124551E-02
    933.9000000              0.399612E-02
    360.0000000              0.114751E-01
    147.0000000              0.275504E-01
     62.8800000              0.532917E-01
     27.6000000              0.571246E-01
     11.0800000             -0.395201E-01
      5.0750000             -0.264343E+00
      2.2780000             -0.349291E+00
Cl    S
     18.831                  1.000000
Cl    S
      9.277                  1.000000
Cl    S
      4.570                  1.000000
Cl    S
      0.7775000              1.0000000
Cl    S
      0.3527000              1.0000000
Cl    S
      0.1431000              1.0000000
Cl    S
      0.0519000              1.0000000
Cl    P
   1703.0000000              0.474039E-03
    403.6000000              0.406412E-02
    130.3000000              0.213355E-01
     49.0500000              0.794611E-01
     20.2600000              0.208927E+00
      8.7870000              0.364945E+00
      3.9190000              0.371725E+00
      1.7650000              0.146292E+00
Cl    P
   1703.0000000             -0.128266E-03
    403.6000000             -0.109356E-02
    130.3000000             -0.583429E-02
     49.0500000             -0.219258E-01
     20.2600000             -0.601385E-01
      8.7870000             -0.106929E+00
      3.9190000             -0.122454E+00
      1.7650000              0.383619E-01
Cl    P
     18.338                  1.000000
Cl    P
      8.492                  1.000000
Cl    P
      3.932                  1.000000
Cl    P
      0.7207000              1.0000000
Cl    P
      0.2839000              1.0000000
Cl    P
      0.1060000              1.0000000
Cl    P
      0.0376000              1.0000000
Cl    D
     27.991                  1.000000
Cl    D
     10.312                  1.000000
Cl    D
      3.799                  1.000000
Cl    D
      1.5510000              1.0000000
Cl    D
      0.6280000              1.0000000
Cl    D
      0.2540000              1.0000000
Cl    D
      0.0952000              1.0000000
Cl    F
     15.188                  1.000000
Cl    F
      3.389                  1.000000
Cl    F
      1.0890000              1.0000000
Cl    F
      0.4230000              1.0000000
Cl    F
      0.2170000              1.0000000
Cl    G
      3.239                  1.000000
Cl    G
      0.8270000              1.0000000
Cl    G
      0.3780000              1.0000000
end
basis "Ar_aug-cc-pwcvqz" 
#basis SET: (46s,23p,7d,5f,3g) -> [10s,9p,7d,5f,3g]
Ar    S
 950600.0000000              0.227545E-04
 142300.0000000              0.176945E-03
  32360.0000000              0.931282E-03
   9145.0000000              0.392860E-02
   2970.0000000              0.142064E-01
   1064.0000000              0.448114E-01
    410.8000000              0.121001E+00
    168.0000000              0.260579E+00
     71.9900000              0.381364E+00
     31.6700000              0.276058E+00
     12.8900000              0.505179E-01
      5.9290000             -0.359866E-02
      2.6780000              0.218798E-02
Ar    S
 950600.0000000             -0.646201E-05
 142300.0000000             -0.502346E-04
  32360.0000000             -0.264804E-03
   9145.0000000             -0.111895E-02
   2970.0000000             -0.408276E-02
   1064.0000000             -0.131216E-01
    410.8000000             -0.372855E-01
    168.0000000             -0.894709E-01
     71.9900000             -0.168054E+00
     31.6700000             -0.179594E+00
     12.8900000              0.102953E+00
      5.9290000              0.562630E+00
      2.6780000              0.450355E+00
Ar    S
 950600.0000000              0.202056E-05
 142300.0000000              0.156851E-04
  32360.0000000              0.828617E-04
   9145.0000000              0.349264E-03
   2970.0000000              0.127976E-02
   1064.0000000              0.410365E-02
    410.8000000              0.117789E-01
    168.0000000              0.283868E-01
     71.9900000              0.552406E-01
     31.6700000              0.607492E-01
     12.8900000             -0.362012E-01
      5.9290000             -0.275398E+00
      2.6780000             -0.362845E+00
Ar    S
     21.926                  1.000000
Ar    S
     10.867                  1.000000
Ar    S
      5.386                  1.000000
Ar    S
      0.9416000              1.0000000
Ar    S
      0.4239000              1.0000000
Ar    S
      0.1714000              1.0000000
Ar    S
      0.0610000              1.0000000
Ar    P
   1890.0000000              0.495752E-03
    447.8000000              0.425172E-02
    144.6000000              0.223277E-01
     54.4600000              0.830878E-01
     22.5100000              0.217110E+00
      9.7740000              0.374507E+00
      4.3680000              0.366445E+00
      1.9590000              0.129245E+00
Ar    P
   1890.0000000             -0.138863E-03
    447.8000000             -0.118870E-02
    144.6000000             -0.632553E-02
     54.4600000             -0.238813E-01
     22.5100000             -0.649238E-01
      9.7740000             -0.115444E+00
      4.3680000             -0.123651E+00
      1.9590000              0.649055E-01
Ar    P
     20.702                  1.000000
Ar    P
      9.556                  1.000000
Ar    P
      4.411                  1.000000
Ar    P
      0.8260000              1.0000000
Ar    P
      0.3297000              1.0000000
Ar    P
      0.1242000              1.0000000
Ar    P
      0.0435000              1.0000000
Ar    D
     32.933                  1.000000
Ar    D
     12.215                  1.000000
Ar    D
      4.530                  1.000000
Ar    D
      1.8730000              1.0000000
Ar    D
      0.7630000              1.0000000
Ar    D
      0.3110000              1.0000000
Ar    D
      0.1160000              1.0000000
Ar    F
     17.874                  1.000000
Ar    F
      4.030                  1.000000
Ar    F
      1.3250000              1.0000000
Ar    F
      0.5430000              1.0000000
Ar    F
      0.2940000              1.0000000
Ar    G
      3.816                  1.000000
Ar    G
      1.0070000              1.0000000
Ar    G
      0.4590000              1.0000000
end
basis "Sc_aug-cc-pwcvqz" 
#basis SET: (151s,106p,44d,5f,4g,3h) -> [11s,10p,8d,5f,4g,3h]
Sc    S
8417909.0000000              1.981292E-06
1260312.0000000              1.540697E-05
 286798.4000000              8.106065E-05
  81234.6900000              0.0003423943
  26503.1100000              0.00124699
   9568.7010000              0.004056425
   3732.4970000              0.01200596
   1548.4220000              0.03235944
    675.5420000              0.07819972
    307.2522000              0.1617396
    144.6672000              0.2618480
     70.0438700              0.2748284
     34.3225000              0.1419647
     15.6122400              0.07046176
      7.7437220              0.1288392
      3.8442600              0.09269352
      1.7197660              0.01229949
      0.8325230             -0.0004588239
      0.3855640              0.0001722703
      0.0967000             -5.410745E-05
      0.0477780              4.892875E-05
Sc    S
8417909.0000000             -1.147926E-06
1260312.0000000             -8.929259E-06
 286798.4000000             -4.696382E-05
  81234.6900000             -0.0001985315
  26503.1100000             -0.0007230932
   9568.7010000             -0.002358822
   3732.4970000             -0.007008148
   1548.4220000             -0.01912407
    675.5420000             -0.04728922
    307.2522000             -0.1032480
    144.6672000             -0.1861960
     70.0438700             -0.2480547
     34.3225000             -0.1614781
     15.6122400              0.1779183
      7.7437220              0.5324076
      3.8442600              0.3752830
      1.7197660              0.05198123
      0.8325230             -0.004029053
      0.3855640              0.0003794092
      0.0967000             -0.0004006692
      0.0477780              0.0003219248
Sc    S
8417909.0000000              2.221960E-07
1260312.0000000              1.729799E-06
 286798.4000000              9.088001E-06
  81234.6900000              3.848622E-05
  26503.1100000              0.0001399997
   9568.7010000              0.0004585975
   3732.4970000              0.001364588
   1548.4220000              0.003773739
    675.5420000              0.009493887
    307.2522000              0.02174611
    144.6672000              0.04228528
     70.0438700              0.0654061
     34.3225000              0.04759732
     15.6122400             -0.0816033
      7.7437220             -0.3283980
      3.8442600             -0.3654561
      1.7197660              0.2102218
      0.8325230              0.6856793
      0.3855640              0.3684308
      0.0967000              0.02050798
      0.0477780             -0.006410776
Sc    S
8417909.0000000             -5.350285E-08
1260312.0000000             -4.164419E-07
 286798.4000000             -2.188499E-06
  81234.6900000             -9.264628E-06
  26503.1100000             -3.371711E-05
   9568.7010000             -0.0001103886
   3732.4970000             -0.0003287051
   1548.4220000             -0.000908425
    675.5420000             -0.002288204
    307.2522000             -0.005238462
    144.6672000             -0.01021547
     70.0438700             -0.01581707
     34.3225000             -0.01162945
     15.6122400              0.02013432
      7.7437220              0.08405086
      3.8442600              0.0984825
      1.7197660             -0.06838523
      0.8325230             -0.2353627
      0.3855640             -0.2776984
      0.0967000              0.2987423
      0.0477780              0.6193723
Sc    S
8417909.0000000             -9.140993E-08
1260312.0000000             -7.270775E-07
 286798.4000000             -3.702449E-06
  81234.6900000             -1.633468E-05
  26503.1100000             -5.64236E-05
   9568.7010000             -0.000196819
   3732.4970000             -0.0005428811
   1548.4220000             -0.001642692
    675.5420000             -0.003709752
    307.2522000             -0.009699229
    144.6672000             -0.0158935
     70.0438700             -0.03149937
     34.3225000             -0.0115392
     15.6122400              0.01426789
      7.7437220              0.1977719
      3.8442600              0.09493216
      1.7197660              0.0267895
      0.8325230             -0.9351082
      0.3855640              0.1820725
      0.0967000              2.0774230
      0.0477780             -1.1139440
Sc    S
8417909.0000000             -1.445075E-07
1260312.0000000             -1.167681E-06
 286798.4000000             -5.810201E-06
  81234.6900000             -2.64162E-05
  26503.1100000             -8.781407E-05
   9568.7010000             -0.0003207912
   3732.4970000             -0.000836375
   1548.4220000             -0.00270364
    675.5420000             -0.00563396
    307.2522000             -0.01622651
    144.6672000             -0.02336426
     70.0438700             -0.05523292
     34.3225000             -0.008807771
     15.6122400             -0.0002060869
      7.7437220              0.3882857
      3.8442600              0.0974343
      1.7197660              0.006858569
      0.8325230             -2.3215700
      0.3855640              2.6665800
      0.0967000              0.1898281
      0.0477780             -2.6840650
Sc    S
8417909.0000000             -1.607992E-07
1260312.0000000             -1.216461E-06
 286798.4000000             -6.659894E-06
  81234.6900000             -2.670499E-05
  26503.1100000             -0.0001039947
   9568.7010000             -0.0003133995
   3732.4970000             -0.001029884
   1548.4220000             -0.002530633
    675.5420000             -0.007335917
    307.2522000             -0.01414587
    144.6672000             -0.03451496
     70.0438700             -0.03859251
     34.3225000             -0.05560506
     15.6122400              0.1025062
      7.7437220              0.2265527
      3.8442600              0.6017289
      1.7197660             -1.4029740
      0.8325230             -0.8478364
      0.3855640              3.0947890
      0.0967000             -5.7927330
      0.0477780              6.9441580
Sc    S
      3.1343                 1.0
Sc    S
      1.7369                 1.0
Sc    S
      0.0223630              1.0000000
Sc    S
      0.0104700              1.0000000
Sc    P
  22640.9700000              0.0000120
   5357.5450000              0.0001070
   1740.3730000              0.0006250
    666.6163000              0.0028300
    283.6384000              0.0105300
    129.7976000              0.0328810
     62.6795600              0.0858840
     31.5044100              0.1800300
     16.2352500              0.2892240
      8.5183240              0.3279100
      4.5190050              0.2101980
      2.3665910              0.0546800
      1.2152350              0.0018530
      0.6143480             -0.0014170
      0.3007450             -0.0009530
      0.1260040             -0.0000510
      0.0548400             -0.0000210
Sc    P
  22640.9700000             -0.0000040
   5357.5450000             -0.0000350
   1740.3730000             -0.0002050
    666.6163000             -0.0009320
    283.6384000             -0.0034840
    129.7976000             -0.0110190
     62.6795600             -0.0294150
     31.5044100             -0.0637130
     16.2352500             -0.1060850
      8.5183240             -0.1286380
      4.5190050             -0.0530120
      2.3665910              0.1740260
      1.2152350              0.3925500
      0.6143480              0.3965140
      0.3007450              0.1765440
      0.1260040              0.0191110
      0.0548400              0.0000750
Sc    P
  22640.9700000              0.0000010
   5357.5450000              0.0000090
   1740.3730000              0.0000500
    666.6163000              0.0002270
    283.6384000              0.0008530
    129.7976000              0.0026860
     62.6795600              0.0072250
     31.5044100              0.0155900
     16.2352500              0.0263030
      8.5183240              0.0317770
      4.5190050              0.0124830
      2.3665910             -0.0526270
      1.2152350             -0.1140250
      0.6143480             -0.1463710
      0.3007450             -0.0138630
      0.1260040              0.3524440
      0.0548400              0.5504540
Sc    P
  22640.9700000              0.0000010
   5357.5450000              0.0000100
   1740.3730000              0.0000600
    666.6163000              0.0002740
    283.6384000              0.0010250
    129.7976000              0.0032500
     62.6795600              0.0086740
     31.5044100              0.0188660
     16.2352500              0.0314660
      8.5183240              0.0386630
      4.5190050              0.0149230
      2.3665910             -0.0596700
      1.2152350             -0.1347060
      0.6143480             -0.1728090
      0.3007450             -0.0806980
      0.1260040              0.5542640
      0.0548400              0.5500070
Sc    P
  22640.9700000              0.0000020
   5357.5450000              0.0000200
   1740.3730000              0.0001280
    666.6163000              0.0005340
    283.6384000              0.0021640
    129.7976000              0.0063070
     62.6795600              0.0183770
     31.5044100              0.0360160
     16.2352500              0.0694300
      8.5183240              0.0719490
      4.5190050              0.0577890
      2.3665910             -0.1752840
      1.2152350             -0.3373290
      0.6143480             -0.5644270
      0.3007450              1.1633800
      0.1260040              0.5658350
      0.0548400             -0.9715060
Sc    P
  22640.9700000             -0.0000020
   5357.5450000             -0.0000290
   1740.3730000             -0.0001300
    666.6163000             -0.0007520
    283.6384000             -0.0022120
    129.7976000             -0.0088930
     62.6795600             -0.0182620
     31.5044100             -0.0530410
     16.2352500             -0.0599390
      8.5183240             -0.1556420
      4.5190050              0.0095720
      2.3665910              0.0918980
      1.2152350              1.2567100
      0.6143480             -1.0111150
      0.3007450             -1.3688360
      0.1260040              2.3777820
      0.0548400             -1.1539840
Sc    P
      4.0678                 1.0
Sc    P
      0.9987                 1.0
Sc    P
      0.0235570              1.0000000
Sc    P
      0.0101200              1.0000000
Sc    D
    145.4680000              0.0004940
     43.4188000              0.0041980
     16.5768000              0.0189670
      6.9711100              0.0584080
      3.1334700              0.1376050
      1.4576800              0.2314700
      0.6745380              0.2965300
      0.3051620              0.3052000
      0.1341130              0.2380750
      0.0572700              0.1073860
Sc    D
    145.4680000             -0.0005050
     43.4188000             -0.0042930
     16.5768000             -0.0194750
      6.9711100             -0.0606310
      3.1334700             -0.1436610
      1.4576800             -0.2292940
      0.6745380             -0.2619730
      0.3051620             -0.0530060
      0.1341130              0.4119990
      0.0572700              0.4831900
Sc    D
    145.4680000             -0.0006670
     43.4188000             -0.0055930
     16.5768000             -0.0259900
      6.9711100             -0.0791400
      3.1334700             -0.1936220
      1.4576800             -0.2899810
      0.6745380             -0.1702510
      0.3051620              0.6126870
      0.1341130              0.4817940
      0.0572700             -0.6794480
Sc    D
    145.4680000              0.0008360
     43.4188000              0.0084950
     16.5768000              0.0334810
      6.9711100              0.1270110
      3.1334700              0.2482810
      1.4576800              0.4455630
      0.6745380             -0.5406450
      0.3051620             -0.8783940
      0.1341130              1.4431180
      0.0572700             -0.4690810
Sc    D
      2.1374                 1.0
Sc    D
      0.9795                 1.0
Sc    D
      0.0233540              1.0000000
Sc    D
      0.0095200              1.0000000
Sc    F
      2.7750                 1.0
Sc    F
      1.0597                 1.0
Sc    F
      0.4046                 1.0
Sc    F
      0.1125000              1.0000000
Sc    F
      0.0312800              1.0000000
Sc    G
      2.4928                 1.0
Sc    G
      0.9149                 1.0
Sc    G
      0.2573000              1.0000000
Sc    G
      0.0723600              1.0000000
Sc    H
      2.0516                 1.0
Sc    H
      0.5016000              1.0000000
Sc    H
      0.1226400              1.0000000
end
basis "Ti_aug-cc-pwcvqz" 
#basis SET: (151s,106p,44d,5f,4g,3h) -> [11s,10p,8d,5f,4g,3h]
Ti    S
9317034.0000000              1.967884E-06
1394971.0000000              1.530198E-05
 317453.1000000              8.050403E-05
  89921.0000000              0.0003400302
  29338.1600000              0.001238349
  10592.6600000              0.004028475
   4132.0560000              0.01192508
   1714.2350000              0.03215601
    747.9151000              0.0777862
    340.1991000              0.1612030
    160.2060000              0.2618826
     77.5885100              0.2766541
     38.0448900              0.1442968
     17.3536200              0.06993131
      8.6420620              0.1259449
      4.3044040              0.0902583
      1.9377180              0.01200401
      0.9365940             -0.0003976168
      0.4326240              0.0001425444
      0.1073520             -4.196664E-05
      0.0520340              4.824213E-05
Ti    S
9317034.0000000             -1.130007E-06
1394971.0000000             -8.789416E-06
 317453.1000000             -4.622623E-05
  89921.0000000             -0.0001954047
  29338.1600000             -0.0007117
  10592.6600000             -0.002321755
   4132.0560000             -0.006899511
   1714.2350000             -0.01883765
    747.9151000             -0.04663976
    340.1991000             -0.1020764
    160.2060000             -0.1848693
     77.5885100             -0.2479601
     38.0448900             -0.1634863
     17.3536200              0.1779147
      8.6420620              0.5351738
      4.3044040              0.3752822
      1.9377180              0.05217038
      0.9365940             -0.003863192
      0.4326240              0.0002845374
      0.1073520             -0.0003500414
      0.0520340              0.0003192906
Ti    S
9317034.0000000              2.252735E-07
1394971.0000000              1.753631E-06
 317453.1000000              9.213052E-06
  89921.0000000              3.901242E-05
  29338.1600000              0.0001419184
  10592.6600000              0.0004648635
   4132.0560000              0.001383544
   1714.2350000              0.003827354
    747.9151000              0.009639191
    340.1991000              0.02211719
    160.2060000              0.04314954
     77.5885100              0.06703481
     38.0448900              0.04946424
     17.3536200             -0.08333456
      8.6420620             -0.3384435
      4.3044040             -0.3674069
      1.9377180              0.2247056
      0.9365940              0.6878815
      0.4326240              0.3594435
      0.1073520              0.01933695
      0.0520340             -0.005997819
Ti    S
9317034.0000000             -5.318433E-08
1394971.0000000             -4.139855E-07
 317453.1000000             -2.175153E-06
  89921.0000000             -9.209567E-06
  29338.1600000             -3.350761E-05
  10592.6600000             -0.0001097393
   4132.0560000             -0.0003267006
   1714.2350000             -0.0009036567
    747.9151000             -0.002277257
    340.1991000             -0.005226756
    160.2060000             -0.01021707
     77.5885100             -0.01591468
     38.0448900             -0.01182814
     17.3536200              0.02011999
      8.6420620              0.08526584
      4.3044040              0.09693489
      1.9377180             -0.07082672
      0.9365940             -0.2359740
      0.4326240             -0.2629613
      0.1073520              0.3011214
      0.0520340              0.6125074
Ti    S
9317034.0000000             -9.711872E-08
1394971.0000000             -7.73397E-07
 317453.1000000             -3.931052E-06
  89921.0000000             -1.738323E-05
  29338.1600000             -5.986536E-05
  10592.6600000             -0.0002095853
   4132.0560000             -0.0005756482
   1714.2350000             -0.001751595
    747.9151000             -0.00393512
    340.1991000             -0.0103849
    160.2060000             -0.0169110
     77.5885100             -0.03410989
     38.0448900             -0.01220437
     17.3536200              0.01397535
      8.6420620              0.2176212
      4.3044040              0.09532708
      1.9377180              0.01782524
      0.9365940             -1.0163420
      0.4326240              0.3107026
      0.1073520              1.9917860
      0.0520340             -1.1429550
Ti    S
9317034.0000000             -1.533644E-07
1394971.0000000             -1.234295E-06
 317453.1000000             -6.177188E-06
  89921.0000000             -2.787253E-05
  29338.1600000             -9.355199E-05
  10592.6600000             -0.0003378352
   4132.0560000             -0.0008935475
   1714.2350000             -0.002842353
    747.9151000             -0.006052332
    340.1991000             -0.0170469
    160.2060000             -0.02549806
     77.5885100             -0.05791149
     38.0448900             -0.01271791
     17.3536200              0.006260762
      8.6420620              0.4080306
      4.3044040              0.1284258
      1.9377180             -0.1231286
      0.9365940             -2.2673310
      0.4326240              2.8075070
      0.1073520             -0.3028009
      0.0520340             -2.0712270
Ti    S
9317034.0000000             -1.764526E-07
1394971.0000000             -1.314401E-06
 317453.1000000             -7.355464E-06
  89921.0000000             -2.863762E-05
  29338.1600000             -0.0001156551
  10592.6600000             -0.0003330732
   4132.0560000             -0.001155156
   1714.2350000             -0.002659832
    747.9151000             -0.008332036
    340.1991000             -0.01462611
    160.2060000             -0.0403089
     77.5885100             -0.03745842
     38.0448900             -0.07375959
     17.3536200              0.1443268
      8.6420620              0.2119031
      4.3044040              0.7474187
      1.9377180             -2.0310800
      0.9365940              0.1922693
      0.4326240              2.2877680
      0.1073520             -5.1681350
      0.0520340              6.4603230
Ti    S
      4.0263                 1.0
Ti    S
      1.0457                 1.0
Ti    S
      0.0240380              1.0000000
Ti    S
      0.0111000              1.0000000
Ti    P
  25537.3300000              0.0000120
   6042.2430000              0.0001040
   1962.6530000              0.0006070
    751.7338000              0.0027510
    319.8833000              0.0102660
    146.4300000              0.0321800
     70.7486100              0.0844860
     35.5908800              0.1783320
     18.3689300              0.2885740
      9.6586550              0.3287580
      5.1367300              0.2115410
      2.6988720              0.0555190
      1.3897030              0.0020200
      0.7031630             -0.0014290
      0.3441230             -0.0009410
      0.1413610             -0.0000530
      0.0608630             -0.0000170
Ti    P
  25537.3300000             -0.0000040
   6042.2430000             -0.0000350
   1962.6530000             -0.0002030
    751.7338000             -0.0009250
    319.8833000             -0.0034700
    146.4300000             -0.0110200
     70.7486100             -0.0295770
     35.5908800             -0.0645740
     18.3689300             -0.1084580
      9.6586550             -0.1319100
      5.1367300             -0.0530890
      2.6988720              0.1781250
      1.3897030              0.3957010
      0.7031630              0.3927280
      0.3441230              0.1744770
      0.1413610              0.0189460
      0.0608630             -0.0003280
Ti    P
  25537.3300000              0.0000010
   6042.2430000              0.0000080
   1962.6530000              0.0000490
    751.7338000              0.0002210
    319.8833000              0.0008360
    146.4300000              0.0026410
     70.7486100              0.0071510
     35.5908800              0.0155300
     18.3689300              0.0264790
      9.6586550              0.0319800
      5.1367300              0.0125610
      2.6988720             -0.0529940
      1.3897030             -0.1130390
      0.7031630             -0.1436980
      0.3441230             -0.0103360
      0.1413610              0.3547360
      0.0608630              0.5481010
Ti    P
  25537.3300000              0.0000010
   6042.2430000              0.0000100
   1962.6530000              0.0000610
    751.7338000              0.0002750
    319.8833000              0.0010340
    146.4300000              0.0032830
     70.7486100              0.0088290
     35.5908800              0.0193080
     18.3689300              0.0326120
      9.6586550              0.0399770
      5.1367300              0.0152990
      2.6988720             -0.0626200
      1.3897030             -0.1382880
      0.7031630             -0.1763480
      0.3441230             -0.0554040
      0.1413610              0.5592910
      0.0608630              0.5331150
Ti    P
  25537.3300000              0.0000020
   6042.2430000              0.0000200
   1962.6530000              0.0001260
    751.7338000              0.0005260
    319.8833000              0.0021510
    146.4300000              0.0062570
     70.7486100              0.0184550
     35.5908800              0.0362470
     18.3689300              0.0709200
      9.6586550              0.0718270
      5.1367300              0.0592010
      2.6988720             -0.1842720
      1.3897030             -0.3296530
      0.7031630             -0.5457640
      0.3441230              1.1454310
      0.1413610              0.5526250
      0.0608630             -0.9642600
Ti    P
  25537.3300000             -0.0000030
   6042.2430000             -0.0000280
   1962.6530000             -0.0001340
    751.7338000             -0.0007360
    319.8833000             -0.0022930
    146.4300000             -0.0087520
     70.7486100             -0.0192260
     35.5908800             -0.0525890
     18.3689300             -0.0658940
      9.6586550             -0.1481120
      5.1367300             -0.0241240
      2.6988720              0.1769790
      1.3897030              1.1584280
      0.7031630             -0.9634580
      0.3441230             -1.3245080
      0.1413610              2.2913730
      0.0608630             -1.1129320
Ti    P
      4.8140                 1.0
Ti    P
      1.2166                 1.0
Ti    P
      0.0259070              1.0000000
Ti    P
      0.0110300              1.0000000
Ti    D
    196.9490000              0.0003820
     58.8372000              0.0033680
     22.5654000              0.0162420
      9.5756600              0.0523770
      4.3185900              0.1299280
      2.0232700              0.2312330
      0.9467780              0.3035610
      0.4338760              0.3092680
      0.1922740              0.2316440
      0.0815020              0.1015400
Ti    D
    196.9490000             -0.0003880
     58.8372000             -0.0034280
     22.5654000             -0.0165980
      9.5756600             -0.0541720
      4.3185900             -0.1366600
      2.0232700             -0.2294490
      0.9467780             -0.2549950
      0.4338760             -0.0476610
      0.1922740              0.3948800
      0.0815020              0.4964530
Ti    D
    196.9490000             -0.0006220
     58.8372000             -0.0054930
     22.5654000             -0.0269680
      9.5756600             -0.0895330
      4.3185900             -0.2283740
      2.0232700             -0.3312580
      0.9467780             -0.1063490
      0.4338760              0.6310360
      0.1922740              0.3966210
      0.0815020             -0.6180090
Ti    D
    196.9490000             -0.0006960
     58.8372000             -0.0070890
     22.5654000             -0.0310130
      9.5756600             -0.1200550
      4.3185900             -0.2789100
      2.0232700             -0.3789610
      0.9467780              0.5737430
      0.4338760              0.7279500
      0.1922740             -1.2976560
      0.0815020              0.3203760
Ti    D
      2.7905                 1.0
Ti    D
      1.3765                 1.0
Ti    D
      0.0322850              1.0000000
Ti    D
      0.0127900              1.0000000
Ti    F
      3.7381                 1.0
Ti    F
      1.4957                 1.0
Ti    F
      0.5985                 1.0
Ti    F
      0.1821000              1.0000000
Ti    F
      0.0554100              1.0000000
Ti    G
      3.2185                 1.0
Ti    G
      1.2746                 1.0
Ti    G
      0.4002000              1.0000000
Ti    G
      0.1256600              1.0000000
Ti    H
      2.7919                 1.0
Ti    H
      0.8721000              1.0000000
Ti    H
      0.2724200              1.0000000
end
basis "V_aug-cc-pwcvqz" 
#basis SET: (151s,106p,44d,5f,4g,3h) -> [11s,10p,8d,5f,4g,3h]
V    S
10251780.0000000             1.966291E-06
1534920.0000000              1.528967E-05
 349300.9000000              8.043932E-05
  98942.0500000              0.0003397617
  32281.3600000              0.001237405
  11655.2700000              0.00402574
   4546.5480000              0.01191912
   1886.1850000              0.03215431
    822.9417000              0.07785452
    374.3439000              0.1616367
    176.3069000              0.2634194
     85.4066100              0.2799986
     41.9043500              0.1473474
     19.1552500              0.06826405
      9.5716170              0.1194436
      4.7800860              0.08507582
      2.1618600              0.01125814
      1.0427110             -0.0003353521
      0.4802820              0.0001070571
      0.1176380             -2.979622E-05
      0.0561740              4.672816E-05
V    S
10251780.0000000            -1.100923E-06
1534920.0000000             -8.56325E-06
 349300.9000000             -4.503678E-05
  98942.0500000             -0.0001903808
  32281.3600000             -0.0006934284
  11655.2700000             -0.002262429
   4546.5480000             -0.006724991
   1886.1850000             -0.01837325
    822.9417000             -0.0455526
    374.3439000             -0.09996969
    176.3069000             -0.1819111
     85.4066100             -0.2458744
     41.9043500             -0.1638089
     19.1552500              0.1795843
      9.5716170              0.5389547
      4.7800860              0.3749098
      2.1618600              0.05200269
      1.0427110             -0.003775873
      0.4802820              0.0001686888
      0.1176380             -0.0003063802
      0.0561740              0.0003238096
V    S
10251780.0000000             2.278854E-07
1534920.0000000              1.773942E-06
 349300.9000000              9.319992E-06
  98942.0500000              3.946449E-05
  32281.3600000              0.000143572
  11655.2700000              0.0004702911
   4546.5480000              0.001399998
   1886.1850000              0.003874111
    822.9417000              0.009765942
    374.3439000              0.02244179
    176.3069000              0.04390091
     85.4066100              0.06843462
     41.9043500              0.0509650
     19.1552500             -0.0853594
      9.5716170             -0.3474804
      4.7800860             -0.3672368
      2.1618600              0.2385408
      1.0427110              0.6888178
      0.4802820              0.3509919
      0.1176380              0.01826144
      0.0561740             -0.005541134
V    S
10251780.0000000            -5.275948E-08
1534920.0000000             -4.107129E-07
 349300.9000000             -2.157711E-06
  98942.0500000             -9.13722E-06
  32281.3600000             -3.323885E-05
  11655.2700000             -0.0001088925
   4546.5480000             -0.0003241407
   1886.1850000             -0.0008972319
    822.9417000             -0.002262105
    374.3439000             -0.005203068
    176.3069000             -0.01019123
     85.4066100             -0.0159482
     41.9043500             -0.01193588
     19.1552500              0.02018344
      9.5716170              0.08610071
      4.7800860              0.09487917
      2.1618600             -0.07309753
      1.0427110             -0.2349632
      0.4802820             -0.2500297
      0.1176380              0.3026096
      0.0561740              0.6061635
V    S
10251780.0000000            -1.003479E-07
1534920.0000000             -7.997061E-07
 349300.9000000             -4.060397E-06
  98942.0500000             -1.79807E-05
  32281.3600000             -6.18137E-05
  11655.2700000             -0.0002168915
   4546.5480000             -0.0005942417
   1886.1850000             -0.001814506
    822.9417000             -0.004064807
    374.3439000             -0.01079223
    176.3069000             -0.01752264
     85.4066100             -0.03573873
     41.9043500             -0.01263079
     19.1552500              0.01393494
      9.5716170              0.2305046
      4.7800860              0.0936574
      2.1618600              0.00782896
      1.0427110             -1.0538540
      0.4802820              0.3865591
      0.1176380              1.9257830
      0.0561740             -1.1464290
V    S
10251780.0000000            -1.592148E-07
1534920.0000000             -1.278305E-06
 349300.9000000             -6.420097E-06
  98942.0500000             -2.883633E-05
  32281.3600000             -9.73589E-05
  11655.2700000             -0.0003491402
   4546.5480000             -0.0009316194
   1886.1850000             -0.002934959
    822.9417000             -0.006333703
    374.3439000             -0.01760698
    176.3069000             -0.02696848
     85.4066100             -0.05982079
     41.9043500             -0.01545613
     19.1552500              0.01103001
      9.5716170              0.4234006
      4.7800860              0.1454088
      2.1618600             -0.2197140
      1.0427110             -2.1943290
      0.4802820              2.8574410
      0.1176380             -0.5832475
      0.0561740             -1.6928450
V    S
10251780.0000000            -1.885199E-07
1534920.0000000             -1.39455E-06
 349300.9000000             -7.881519E-06
  98942.0500000             -3.027981E-05
  32281.3600000             -0.000124316
  11655.2700000             -0.0003507231
   4546.5480000             -0.00124644
   1886.1850000             -0.00278742
    822.9417000             -0.009045618
    374.3439000             -0.01522967
    176.3069000             -0.04437496
     85.4066100             -0.03793507
     41.9043500             -0.08564216
     19.1552500              0.1715635
      9.5716170              0.2192374
      4.7800860              0.8190393
      2.1618600             -2.4396980
      1.0427110              0.9048685
      0.4802820              1.7069230
      0.1176380             -4.6758140
      0.0561740              6.0487340
V    S
      4.4316                 1.0
V    S
      1.2776                 1.0
V    S
      0.0256610              1.0000000
V    S
      0.0117200              1.0000000
V    P
  28563.3200000              0.0000110
   6757.1910000              0.0001010
   2194.6520000              0.0005920
    840.5257000              0.0026900
    357.6666000              0.0100630
    163.7534000              0.0316540
     79.1446600              0.0834780
     39.8385800              0.1772260
     20.5853600              0.2883980
     10.8430700              0.3294320
      5.7779690              0.2121300
      3.0431700              0.0558820
      1.5702390              0.0020970
      0.7949750             -0.0014710
      0.3889800             -0.0009480
      0.1573270             -0.0000550
      0.0665660             -0.0000130
V    P
  28563.3200000             -0.0000040
   6757.1910000             -0.0000340
   2194.6520000             -0.0002020
    840.5257000             -0.0009200
    357.6666000             -0.0034590
    163.7534000             -0.0110250
     79.1446600             -0.0297320
     39.8385800             -0.0653490
     20.5853600             -0.1105270
     10.8430700             -0.1345370
      5.7779690             -0.0524370
      3.0431700              0.1822160
      1.5702390              0.3980180
      0.7949750              0.3891530
      0.3889800              0.1727170
      0.1573270              0.0187460
      0.0665660             -0.0005940
V    P
  28563.3200000              0.0000010
   6757.1910000              0.0000080
   2194.6520000              0.0000490
    840.5257000              0.0002210
    357.6666000              0.0008380
    163.7534000              0.0026560
     79.1446600              0.0072330
     39.8385800              0.0158080
     20.5853600              0.0271720
     10.8430700              0.0328010
      5.7779690              0.0123380
      3.0431700             -0.0554180
      1.5702390             -0.1156040
      0.7949750             -0.1390920
      0.3889800              0.0006820
      0.1573270              0.3520090
      0.0665660              0.5422050
V    P
  28563.3200000              0.0000010
   6757.1910000              0.0000100
   2194.6520000              0.0000600
    840.5257000              0.0002750
    357.6666000              0.0010330
    163.7534000              0.0032960
     79.1446600              0.0088960
     39.8385800              0.0196130
     20.5853600              0.0333180
     10.8430700              0.0410090
      5.7779690              0.0149590
      3.0431700             -0.0642560
      1.5702390             -0.1418170
      0.7949750             -0.1739660
      0.3889800             -0.0411320
      0.1573270              0.5639950
      0.0665660              0.5238960
V    P
  28563.3200000              0.0000020
   6757.1910000              0.0000200
   2194.6520000              0.0001290
    840.5257000              0.0005360
    357.6666000              0.0022030
    163.7534000              0.0064280
     79.1446600              0.0190710
     39.8385800              0.0377120
     20.5853600              0.0742670
     10.8430700              0.0752600
      5.7779690              0.0609980
      3.0431700             -0.2009760
      1.5702390             -0.3453430
      0.7949750             -0.5018350
      0.3889800              1.1436310
      0.1573270              0.5044870
      0.0665660             -0.9441030
V    P
  28563.3200000             -0.0000030
   6757.1910000             -0.0000290
   2194.6520000             -0.0001410
    840.5257000             -0.0007730
    357.6666000             -0.0024220
    163.7534000             -0.0092670
     79.1446600             -0.0205550
     39.8385800             -0.0564850
     20.5853600             -0.0714930
     10.8430700             -0.1577910
      5.7779690             -0.0215520
      3.0431700              0.2379500
      1.5702390              1.1318370
      0.7949750             -1.0891800
      0.3889800             -1.1257730
      0.1573270              2.1681890
      0.0665660             -1.1102630
V    P
      5.6395                 1.0
V    P
      1.4302                 1.0
V    P
      0.0278610              1.0000000
V    P
      0.0116600              1.0000000
V    D
    238.0090000              0.0003500
     71.1896000              0.0031300
     27.3946000              0.0154780
     11.7173000              0.0508290
      5.3248000              0.1275480
      2.5169800              0.2304470
      1.1907500              0.3040580
      0.5518090              0.3083660
      0.2469260              0.2290220
      0.1051000              0.1013600
V    D
    238.0090000             -0.0003700
     71.1896000             -0.0033170
     27.3946000             -0.0164740
     11.7173000             -0.0548390
      5.3248000             -0.1408390
      2.5169800             -0.2395530
      1.1907500             -0.2519100
      0.5518090             -0.0261060
      0.2469260              0.3877700
      0.1051000              0.4867240
V    D
    238.0090000             -0.0005750
     71.1896000             -0.0051570
     27.3946000             -0.0259290
     11.7173000             -0.0880590
      5.3248000             -0.2311790
      2.5169800             -0.3383520
      1.1907500             -0.0850300
      0.5518090              0.6267990
      0.2469260              0.3834730
      0.1051000             -0.6102620
V    D
    238.0090000              0.0007340
     71.1896000              0.0072580
     27.3946000              0.0339580
     11.7173000              0.1298550
      5.3248000              0.3316480
      2.5169800              0.3569830
      1.1907500             -0.6934390
      0.5518090             -0.5768500
      0.2469260              1.2280290
      0.1051000             -0.3167410
V    D
      3.4512                 1.0
V    D
      1.7775                 1.0
V    D
      0.0413930              1.0000000
V    D
      0.0163000              1.0000000
V    F
      4.7261                 1.0
V    F
      1.9376                 1.0
V    F
      0.7944                 1.0
V    F
      0.2550000              1.0000000
V    F
      0.0818500              1.0000000
V    G
      3.9825                 1.0
V    G
      1.6478                 1.0
V    G
      0.5645000              1.0000000
V    G
      0.1933900              1.0000000
V    H
      3.6783                 1.0
V    H
      1.3165000              1.0000000
V    H
      0.4711900              1.0000000
end
basis "Cr_aug-cc-pwcvqz" 
#basis SET: (151s,106p,44d,5f,4g,3h) -> [11s,10p,8d,5f,4g,3h]
Cr    S
11016640.0000000             2.002522E-06
1649423.0000000              1.557145E-05
 375358.9000000              8.192146E-05
 106323.6000000              0.0003460132
  34689.7600000              0.001260141
  12524.8300000              0.004099273
   4885.7520000              0.01213424
   2026.9180000              0.03271636
    884.3645000              0.07912296
    402.3170000              0.1638397
    189.5271000              0.2655107
     91.8609500              0.2789671
     45.1247600              0.1444466
     20.6251200              0.06941606
     10.3197300              0.1195153
      5.1577230              0.08084582
      2.3126280              0.009975024
      1.1030790             -0.000286577
      0.4980420              0.0001176051
      0.1182470             -2.164013E-05
      0.0573560              5.032702E-05
Cr    S
11016640.0000000            -1.118844E-06
1649423.0000000             -8.70279E-06
 375358.9000000             -4.576974E-05
 106323.6000000             -0.0001934803
  34689.7600000             -0.0007046922
  12524.8300000             -0.002299139
   4885.7520000             -0.006833193
   2026.9180000             -0.01866493
    884.3645000             -0.04624835
    402.3170000             -0.1013820
    189.5271000             -0.1839390
     91.8609500             -0.2469356
     45.1247600             -0.1597390
     20.6251200              0.1940936
     10.3197300              0.5461479
      5.1577230              0.3610571
      2.3126280              0.04658647
      1.1030790             -0.003493969
      0.4980420              0.0002600074
      0.1182470             -0.00024401
      0.0573560              0.0003266435
Cr    S
11016640.0000000             2.358227E-07
1649423.0000000              1.83614E-06
 375358.9000000              9.643686E-06
 106323.6000000              4.085166E-05
  34689.7600000              0.0001485404
  12524.8300000              0.0004868639
   4885.7520000              0.001448156
   2026.9180000              0.004010503
    884.3645000              0.01009579
    402.3170000              0.02321493
    189.5271000              0.04524056
     91.8609500              0.07025001
     45.1247600              0.05032135
     20.6251200             -0.09350992
     10.3197300             -0.3650249
      5.1577230             -0.3530889
      2.3126280              0.2829720
      1.1030790              0.7001955
      0.4980420              0.3067473
      0.1182470              0.01083139
      0.0573560             -0.001458427
Cr    S
11016640.0000000            -5.343793E-08
1649423.0000000             -4.166295E-07
 375358.9000000             -2.183977E-06
 106323.6000000             -9.275174E-06
  34689.7600000             -3.361788E-05
  12524.8300000             -0.0001106225
   4885.7520000             -0.0003275214
   2026.9180000             -0.0009122671
    884.3645000             -0.002281936
    402.3170000             -0.005294506
    189.5271000             -0.01022548
     91.8609500             -0.01618464
     45.1247600             -0.01124211
     20.6251200              0.02096236
     10.3197300              0.09050667
      5.1577230              0.08642079
      2.3126280             -0.0785363
      1.1030790             -0.2526007
      0.4980420             -0.2133579
      0.1182470              0.3577908
      0.0573560              0.5691145
Cr    S
11016640.0000000            -1.038573E-07
1649423.0000000             -8.291687E-07
 375358.9000000             -4.198902E-06
 106323.6000000             -1.865777E-05
  34689.7600000             -6.386131E-05
  12524.8300000             -0.0002252576
   4885.7520000             -0.0006131653
   2026.9180000             -0.001886356
    884.3645000             -0.004185316
    402.3170000             -0.01123172
    189.5271000             -0.01791544
     91.8609500             -0.03714198
     45.1247600             -0.01126485
     20.6251200              0.01522975
     10.3197300              0.2458640
      5.1577230              0.07882802
      2.3126280             -0.01862956
      1.1030790             -1.0962620
      0.4980420              0.5510966
      0.1182470              1.8947270
      0.0573560             -1.3157730
Cr    S
11016640.0000000            -1.671645E-07
1649423.0000000             -1.331951E-06
 375358.9000000             -6.764614E-06
 106323.6000000             -2.994507E-05
  34689.7600000             -0.000102993
  12524.8300000             -0.0003611865
   4885.7520000             -0.0009903414
   2026.9180000             -0.003022002
    884.3645000             -0.006778242
    402.3170000             -0.01798719
    189.5271000             -0.02926094
     91.8609500             -0.05950832
     45.1247600             -0.02030054
     20.6251200              0.02995049
     10.3197300              0.4202560
      5.1577230              0.1844826
      2.3126280             -0.4526654
      1.1030790             -1.8921570
      0.4980420              2.8485940
      0.1182470             -1.1247750
      0.0573560             -0.9810669
Cr    S
11016640.0000000            -2.018526E-07
1649423.0000000             -1.476099E-06
 375358.9000000             -8.479016E-06
 106323.6000000             -3.186673E-05
  34689.7600000             -0.0001344019
  12524.8300000             -0.0003665342
   4885.7520000             -0.001355222
   2026.9180000             -0.002884635
    884.3645000             -0.009908511
    402.3170000             -0.01547488
    189.5271000             -0.04925232
     91.8609500             -0.03533906
     45.1247600             -0.09963499
     20.6251200              0.2140183
     10.3197300              0.2137561
      5.1577230              0.8609798
      2.3126280             -2.9258430
      1.1030790              1.9665580
      0.4980420              0.7515651
      0.1182470             -4.1073970
      0.0573560              5.7017810
Cr    S
      4.7691                 1.0
Cr    S
      1.4152                 1.0
Cr    S
      0.0257600              1.0000000
Cr    S
      0.0115700              1.0000000
Cr    P
  31539.8900000              0.0000110
   7460.2340000              0.0001000
   2422.6220000              0.0005870
    927.7547000              0.0026670
    394.8041000              0.0099910
    180.8027000              0.0314930
     87.4239300              0.0832660
     44.0342700              0.1773280
     22.7770400              0.2892300
     12.0154700              0.3296730
      6.4117510              0.2108870
      3.3811360              0.0551740
      1.7470540              0.0022300
      0.8850040             -0.0012840
      0.4330280             -0.0008540
      0.1734150             -0.0000460
      0.0726080             -0.0000120
Cr    P
  31539.8900000             -0.0000040
   7460.2340000             -0.0000350
   2422.6220000             -0.0002030
    927.7547000             -0.0009260
    394.8041000             -0.0034870
    180.8027000             -0.0111410
     87.4239300             -0.0301280
     44.0342700             -0.0664840
     22.7770400             -0.1128540
     12.0154700             -0.1367850
      6.4117510             -0.0500570
      3.3811360              0.1884690
      1.7470540              0.4004550
      0.8850040              0.3843320
      0.4330280              0.1695200
      0.1734150              0.0182570
      0.0726080             -0.0007430
Cr    P
  31539.8900000              0.0000010
   7460.2340000              0.0000080
   2422.6220000              0.0000480
    927.7547000              0.0002180
    394.8041000              0.0008270
    180.8027000              0.0026260
     87.4239300              0.0071720
     44.0342700              0.0157380
     22.7770400              0.0271540
     12.0154700              0.0326310
      6.4117510              0.0114930
      3.3811360             -0.0560770
      1.7470540             -0.1142520
      0.8850040             -0.1337370
      0.4330280              0.0034730
      0.1734150              0.3451660
      0.0726080              0.5418440
Cr    P
  31539.8900000              0.0000010
   7460.2340000              0.0000100
   2422.6220000              0.0000610
    927.7547000              0.0002770
    394.8041000              0.0010410
    180.8027000              0.0033380
     87.4239300              0.0090130
     44.0342700              0.0200130
     22.7770400              0.0340000
     12.0154700              0.0419930
      6.4117510              0.0138040
      3.3811360             -0.0662750
      1.7470540             -0.1461070
      0.8850040             -0.1694750
      0.4330280             -0.0285870
      0.1734150              0.5663070
      0.0726080              0.5156880
Cr    P
  31539.8900000              0.0000030
   7460.2340000              0.0000210
   2422.6220000              0.0001340
    927.7547000              0.0005590
    394.8041000              0.0022970
    180.8027000              0.0067270
     87.4239300              0.0199900
     44.0342700              0.0397890
     22.7770400              0.0784260
     12.0154700              0.0798820
      6.4117510              0.0609720
      3.3811360             -0.2226880
      1.7470540             -0.3668130
      0.8850040             -0.4471090
      0.4330280              1.1518010
      0.1734150              0.4413050
      0.0726080             -0.9140660
Cr    P
  31539.8900000             -0.0000030
   7460.2340000             -0.0000310
   2422.6220000             -0.0001500
    927.7547000             -0.0008150
    394.8041000             -0.0025830
    180.8027000             -0.0098130
     87.4239300             -0.0221160
     44.0342700             -0.0602960
     22.7770400             -0.0781870
     12.0154700             -0.1674430
      6.4117510             -0.0135230
      3.3811360              0.3066960
      1.7470540              1.0907830
      0.8850040             -1.2345450
      0.4330280             -0.9015550
      0.1734150              2.0482660
      0.0726080             -1.1039840
Cr    P
      6.4335                 1.0
Cr    P
      1.6473                 1.0
Cr    P
      0.0299150              1.0000000
Cr    P
      0.0123300              1.0000000
Cr    D
    268.0400000              0.0003600
     80.2223000              0.0032360
     30.8950000              0.0161530
     13.2481000              0.0534180
      6.0407700              0.1335240
      2.8615900              0.2386370
      1.3554500              0.3094550
      0.6282480              0.3056910
      0.2806230              0.2182890
      0.1186680              0.0896930
Cr    D
    268.0400000             -0.0004070
     80.2223000             -0.0036770
     30.8950000             -0.0184220
     13.2481000             -0.0620500
      6.0407700             -0.1589460
      2.8615900             -0.2629000
      1.3554500             -0.2438830
      0.6282480              0.0377400
      0.2806230              0.4270640
      0.1186680              0.4428120
Cr    D
    268.0400000             -0.0005820
     80.2223000             -0.0052760
     30.8950000             -0.0267230
     13.2481000             -0.0920120
      6.0407700             -0.2423410
      2.8615900             -0.3383560
      1.3554500             -0.0138860
      0.6282480              0.6731700
      0.2806230              0.2610890
      0.1186680             -0.6613960
Cr    D
    268.0400000              0.0008280
     80.2223000              0.0080720
     30.8950000              0.0389600
     13.2481000              0.1497060
      6.0407700              0.3879330
      2.8615900              0.2970340
      1.3554500             -0.8758060
      0.6282480             -0.2958520
      0.2806230              1.2044240
      0.1186680             -0.5298930
Cr    D
      4.0802                 1.0
Cr    D
      2.1475                 1.0
Cr    D
      0.0459310              1.0000000
Cr    D
      0.0177800              1.0000000
Cr    F
      5.6893                 1.0
Cr    F
      2.3514                 1.0
Cr    F
      0.9718                 1.0
Cr    F
      0.3175000              1.0000000
Cr    F
      0.1037300              1.0000000
Cr    G
      4.6814                 1.0
Cr    G
      1.9685                 1.0
Cr    G
      0.6951000              1.0000000
Cr    G
      0.2454500              1.0000000
Cr    H
      4.4461                 1.0
Cr    H
      1.6775000              1.0000000
Cr    H
      0.6329200              1.0000000
end
basis "Mn_aug-cc-pwcvqz" 
#basis SET: (151s,106p,44d,5f,4g,3h) -> [11s,10p,8d,5f,4g,3h]
Mn    S
12210500.0000000             2.018537E-06
1828157.0000000              1.569638E-05
 416030.3000000              8.257853E-05
 117843.6000000              0.0003488107
  38448.1400000              0.001270414
  13881.7100000              0.004133905
   5415.0020000              0.01224366
   2246.4600000              0.0330604
    980.1463000              0.08019877
    445.8952000              0.1671550
    210.0558000              0.2743977
    101.8046000              0.2963690
     50.0112600              0.1592852
     22.9393900              0.05681818
     11.5226400              0.0827899
      5.7763380              0.05840628
      2.6259590              0.007343047
      1.2603220             -0.0002934793
      0.5771300             -4.562245E-05
      0.1365820             -9.934988E-06
      0.0635350              2.391143E-05
Mn    S
12210500.0000000            -9.633574E-07
1828157.0000000             -7.493672E-06
 416030.3000000             -3.941004E-05
 117843.6000000             -0.0001666155
  38448.1400000             -0.0006069041
  13881.7100000             -0.001981108
   5415.0020000             -0.005893486
   2246.4600000             -0.01613849
    980.1463000             -0.04018929
    445.8952000             -0.08903423
    210.0558000             -0.1646993
    101.8046000             -0.2288840
     50.0112600             -0.1560684
     22.9393900              0.1882585
     11.5226400              0.5512725
      5.7763380              0.3755111
      2.6259590              0.05061607
      1.2603220             -0.004926193
      0.5771300             -0.0006126838
      0.1365820             -0.0002821975
      0.0635350              0.0003009192
Mn    S
12210500.0000000             2.316977E-07
1828157.0000000              1.803633E-06
 416030.3000000              9.476176E-06
 117843.6000000              4.012553E-05
  38448.1400000              0.000145987
  13881.7100000              0.0004782368
   5415.0020000              0.001424063
   2246.4600000              0.003942807
    980.1463000              0.009952411
    445.8952000              0.0229242
    210.0558000              0.04501638
    101.8046000              0.07048742
     50.0112600              0.05291064
     22.9393900             -0.08983951
     11.5226400             -0.3626155
      5.7763380             -0.3621266
      2.6259590              0.2656979
      1.2603220              0.6892091
      0.5771300              0.3337072
      0.1365820              0.01594677
      0.0635350             -0.004614546
Mn    S
12210500.0000000            -5.127786E-08
1828157.0000000             -3.991995E-07
 416030.3000000             -2.097137E-06
 117843.6000000             -8.881375E-06
  38448.1400000             -3.230705E-05
  13881.7100000             -0.0001058611
   5415.0020000             -0.0003151614
   2246.4600000             -0.0008730066
    980.1463000             -0.002203528
    445.8952000             -0.005081761
    210.0558000             -0.009988834
    101.8046000             -0.01570961
     50.0112600             -0.01183955
     22.9393900              0.02031039
     11.5226400              0.08593055
      5.7763380              0.08897427
      2.6259590             -0.07678891
      1.2603220             -0.2261750
      0.5771300             -0.2271869
      0.1365820              0.3003127
      0.0635350              0.5953419
Mn    S
12210500.0000000            -1.017421E-07
1828157.0000000             -8.110718E-07
 416030.3000000             -4.116344E-06
 117843.6000000             -1.823899E-05
  38448.1400000             -6.265924E-05
  13881.7100000             -0.0002200741
   5415.0020000             -0.0006024678
   2246.4600000             -0.0018430
    980.1463000             -0.004127938
    445.8952000             -0.01100471
    210.0558000             -0.0179012
    101.8046000             -0.03676227
     50.0112600             -0.01301427
     22.9393900              0.01478153
     11.5226400              0.2391713
      5.7763380              0.08964957
      2.6259590             -0.01299627
      1.2603220             -1.0513300
      0.5771300              0.4478536
      0.1365820              1.8048060
      0.0635350             -1.0710260
Mn    S
12210500.0000000            -1.64232E-07
1828157.0000000             -1.314241E-06
 416030.3000000             -6.63284E-06
 117843.6000000             -2.96042E-05
  38448.1400000             -0.0001007673
  13881.7100000             -0.0003579039
   5415.0020000             -0.0009666897
   2246.4600000             -0.003005179
    980.1463000             -0.006605816
    445.8952000             -0.0180382
    210.0558000             -0.02853084
    101.8046000             -0.06124413
     50.0112600             -0.01893791
     22.9393900              0.01888653
     11.5226400              0.4329357
      5.7763380              0.1661622
      2.6259590             -0.3401427
      1.2603220             -2.0393200
      0.5771300              2.7946610
      0.1365820             -0.7303582
      0.0635350             -1.4080030
Mn    S
12210500.0000000            -2.001522E-07
1828157.0000000             -1.478765E-06
 416030.3000000             -8.372432E-06
 117843.6000000             -3.208892E-05
  38448.1400000             -0.0001321413
  13881.7100000             -0.0003714493
   5415.0020000             -0.001326456
   2246.4600000             -0.002951265
    980.1463000             -0.009655762
    445.8952000             -0.01616919
    210.0558000             -0.04776647
    101.8046000             -0.04049212
     50.0112600             -0.09389925
     22.9393900              0.1920182
     11.5226400              0.2440487
      5.7763380              0.8589060
      2.6259590             -2.7931450
      1.2603220              1.5640690
      0.5771300              1.1184620
      0.1365820             -4.0546640
      0.0635350              5.4620540
Mn    S
      5.2819                 1.0
Mn    S
      1.5406                 1.0
Mn    S
      0.0285210              1.0000000
Mn    S
      0.0128000              1.0000000
Mn    P
  35005.1200000              0.0000110
   8279.4620000              0.0000980
   2688.4650000              0.0005720
   1029.4900000              0.0026040
    438.0708000              0.0097790
    200.6153000              0.0309380
     97.0076900              0.0821940
     48.8705200              0.1761490
     25.2928100              0.2891330
     13.3538200              0.3309560
      7.1317860              0.2122180
      3.7643650              0.0552270
      1.9462650              0.0012070
      0.9854550             -0.0023550
      0.4818650             -0.0013200
      0.1892120             -0.0000940
      0.0779800             -0.0000070
Mn    P
  35005.1200000             -0.0000040
   8279.4620000             -0.0000340
   2688.4650000             -0.0001990
   1029.4900000             -0.0009070
    438.0708000             -0.0034250
    200.6153000             -0.0109850
     97.0076900             -0.0298560
     48.8705200             -0.0663660
     25.2928100             -0.1135040
     13.3538200             -0.1379910
      7.1317860             -0.0493550
      3.7643650              0.1912420
      1.9462650              0.4023550
      0.9854550              0.3821160
      0.4818650              0.1681990
      0.1892120              0.0179050
      0.0779800             -0.0009580
Mn    P
  35005.1200000             -0.0000010
   8279.4620000             -0.0000080
   2688.4650000             -0.0000460
   1029.4900000             -0.0002080
    438.0708000             -0.0007920
    200.6153000             -0.0025220
     97.0076900             -0.0069280
     48.8705200             -0.0152920
     25.2928100             -0.0266110
     13.3538200             -0.0319780
      7.1317860             -0.0112220
      3.7643650              0.0549880
      1.9462650              0.1104650
      0.9854550              0.1281620
      0.4818650             -0.0029800
      0.1892120             -0.3368240
      0.0779800             -0.5424410
Mn    P
  35005.1200000              0.0000010
   8279.4620000              0.0000100
   2688.4650000              0.0000610
   1029.4900000              0.0002780
    438.0708000              0.0010520
    200.6153000              0.0033660
     97.0076900              0.0091930
     48.8705200              0.0204040
     25.2928100              0.0352770
     13.3538200              0.0429860
      7.1317860              0.0147830
      3.7643650             -0.0708510
      1.9462650             -0.1488630
      0.9854550             -0.1726610
      0.4818650             -0.0048570
      0.1892120              0.5718810
      0.0779800              0.5013280
Mn    P
  35005.1200000              0.0000030
   8279.4620000              0.0000210
   2688.4650000              0.0001380
   1029.4900000              0.0005680
    438.0708000              0.0023680
    200.6153000              0.0068870
     97.0076900              0.0208050
     48.8705200              0.0412070
     25.2928100              0.0829490
     13.3538200              0.0823300
      7.1317860              0.0676490
      3.7643650             -0.2505870
      1.9462650             -0.3787840
      0.9854550             -0.3965170
      0.4818650              1.1501120
      0.1892120              0.3830850
      0.0779800             -0.8923280
Mn    P
  35005.1200000             -0.0000030
   8279.4620000             -0.0000320
   2688.4650000             -0.0001650
   1029.4900000             -0.0008520
    438.0708000             -0.0028640
    200.6153000             -0.0103380
     97.0076900             -0.0249200
     48.8705200             -0.0639080
     25.2928100             -0.0917040
     13.3538200             -0.1688330
      7.1317860             -0.0457170
      3.7643650              0.4475430
      1.9462650              1.0445440
      0.9854550             -1.4857210
      0.4818650             -0.5306040
      0.1892120              1.8217180
      0.0779800             -1.0684500
Mn    P
      7.3332                 1.0
Mn    P
      1.9317                 1.0
Mn    P
      0.0316850              1.0000000
Mn    P
      0.0128700              1.0000000
Mn    D
    301.4270000              0.0003610
     90.3288000              0.0032590
     34.8337000              0.0164190
     14.9770000              0.0547600
      6.8498300              0.1367270
      3.2521700              0.2424190
      1.5430900              0.3103760
      0.7156410              0.3021700
      0.3193230              0.2135730
      0.1344280              0.0890940
Mn    D
    301.4270000             -0.0003670
     90.3288000             -0.0033310
     34.8337000             -0.0168130
     14.9770000             -0.0569290
      6.8498300             -0.1457700
      3.2521700             -0.2466730
      1.5430900             -0.2342270
      0.7156410              0.0233200
      0.3193230              0.3875770
      0.1344280              0.4676950
Mn    D
    301.4270000             -0.0005810
     90.3288000             -0.0053040
     34.8337000             -0.0270190
     14.9770000             -0.0940670
      6.8498300             -0.2469380
      3.2521700             -0.3420510
      1.5430900             -0.0146210
      0.7156410              0.6120700
      0.3193230              0.3201120
      0.1344280             -0.5609790
Mn    D
    301.4270000             -0.0007460
     90.3288000             -0.0068580
     34.8337000             -0.0350360
     14.9770000             -0.1265920
      6.8498300             -0.3598640
      3.2521700             -0.3065310
      1.5430900              0.7526320
      0.7156410              0.4176590
      0.3193230             -1.0728320
      0.1344280              0.2000430
Mn    D
      4.6932                 1.0
Mn    D
      2.4395                 1.0
Mn    D
      0.0515700              1.0000000
Mn    D
      0.0197800              1.0000000
Mn    F
      6.6965                 1.0
Mn    F
      2.7910                 1.0
Mn    F
      1.1632                 1.0
Mn    F
      0.3863000              1.0000000
Mn    F
      0.1282900              1.0000000
Mn    G
      5.4808                 1.0
Mn    G
      2.3504                 1.0
Mn    G
      0.8651000              1.0000000
Mn    G
      0.3184100              1.0000000
Mn    H
      5.1515                 1.0
Mn    H
      2.0003000              1.0000000
Mn    H
      0.7767100              1.0000000
end
basis "Fe_aug-cc-pwcvqz" 
#basis SET: (151s,106p,44d,5f,4g,3h) -> [11s,10p,8d,5f,4g,3h]
Fe    S
      0.1327714E+08          1.976511E-06
1987888.0000000              1.536912E-05
 452387.1000000              8.085571E-05
 128143.7000000              0.0003415253
  41809.1700000              0.001243883
  15095.3300000              0.004047547
   5888.4380000              0.01198848
   2442.8760000              0.03237358
   1065.8570000              0.07854828
    484.9096000              0.1637396
    228.4585000              0.2687335
    110.7453000              0.2896317
     54.4311600              0.1554235
     25.0109600              0.06284331
     12.5926200              0.09927972
      6.3232020              0.06931444
      2.8833840              0.008885666
      1.3828680             -0.00027762
      0.6322010              1.27159E-06
      0.1492380             -1.537759E-05
      0.0684940              2.552339E-05
Fe    S
      0.1327714E+08         -1.020185E-06
1987888.0000000             -7.935347E-06
 452387.1000000             -4.173309E-05
 128143.7000000             -0.0001764249
  41809.1700000             -0.0006426379
  15095.3300000             -0.00209744
   5888.4380000             -0.00623875
   2442.8760000             -0.01707492
   1065.8570000             -0.0424857
    484.9096000             -0.09392294
    228.4585000             -0.1730554
    110.7453000             -0.2386626
     54.4311600             -0.1623971
     25.0109600              0.1869345
     12.5926200              0.5495686
      6.3232020              0.3723118
      2.8833840              0.05057065
      1.3828680             -0.004072645
      0.6322010             -0.0002732199
      0.1492380             -0.0002612296
      0.0684940              0.0002547393
Fe    S
      0.1327714E+08          2.340322E-07
1987888.0000000              1.821727E-06
 452387.1000000              9.571315E-06
 128143.7000000              4.052652E-05
  41809.1700000              0.0001474531
  15095.3300000              0.0004830333
   5888.4380000              0.001438609
   2442.8760000              0.003983915
   1065.8570000              0.01006355
    484.9096000              0.0232061
    228.4585000              0.0456678
    110.7453000              0.07169322
     54.4311600              0.05421018
     25.0109600             -0.09163776
     12.5926200             -0.3693219
      6.3232020             -0.3616033
      2.8833840              0.2734191
      1.3828680              0.6889090
      0.6322010              0.3294179
      0.1492380              0.01558687
      0.0684940             -0.004161049
Fe    S
      0.1327714E+08         -5.062297E-08
1987888.0000000             -3.940586E-07
 452387.1000000             -2.07034E-06
 128143.7000000             -8.766406E-06
  41809.1700000             -3.189537E-05
  15095.3300000             -0.0001044911
   5888.4380000             -0.0003112113
   2442.8760000             -0.0008620181
   1065.8570000             -0.002178129
    484.9096000             -0.00502697
    228.4585000             -0.009908113
    110.7453000             -0.01561357
     54.4311600             -0.01187731
     25.0109600              0.02031246
     12.5926200              0.08560291
      6.3232020              0.08702717
      2.8833840             -0.07758197
      1.3828680             -0.2214919
      0.6322010             -0.2196263
      0.1492380              0.2869893
      0.0684940              0.5927434
Fe    S
      0.1327714E+08         -9.957952E-08
1987888.0000000             -7.925506E-07
 452387.1000000             -4.031635E-06
 128143.7000000             -1.780938E-05
  41809.1700000             -6.14201E-05
  15095.3300000             -0.00021473
   5888.4380000             -0.0005912544
   2442.8760000             -0.001797193
   1065.8570000             -0.004061089
    484.9096000             -0.01073419
    228.4585000             -0.01773464
    110.7453000             -0.03586338
     54.4311600             -0.01374002
     25.0109600              0.01645324
     12.5926200              0.2322749
      6.3232020              0.09256802
      2.8833840             -0.03322957
      1.3828680             -0.9860290
      0.6322010              0.4046445
      0.1492380              1.6888890
      0.0684940             -0.8479093
Fe    S
      0.1327714E+08         -1.678013E-07
1987888.0000000             -1.337004E-06
 452387.1000000             -6.790249E-06
 128143.7000000             -3.005871E-05
  41809.1700000             -0.0001033899
  15095.3300000             -0.0003626365
   5888.4380000             -0.0009947359
   2442.8760000             -0.003038134
   1065.8570000             -0.006831095
    484.9096000             -0.01819172
    228.4585000             -0.02987575
    110.7453000             -0.06129076
     54.4311600             -0.02302594
     25.0109600              0.02701671
     12.5926200              0.4229967
      6.3232020              0.2153088
      2.8833840             -0.4343164
      1.3828680             -1.9503480
      0.6322010              2.7202330
      0.1492380             -0.6123241
      0.0684940             -1.4683290
Fe    S
      0.1327714E+08         -1.97919E-07
1987888.0000000             -1.454458E-06
 452387.1000000             -8.296892E-06
 128143.7000000             -3.147678E-05
  41809.1700000             -0.0001312505
  15095.3300000             -0.0003631851
   5888.4380000             -0.001321103
   2442.8760000             -0.002874345
   1065.8570000             -0.009655667
    484.9096000             -0.01565078
    228.4585000             -0.0481821
    110.7453000             -0.03801945
     54.4311600             -0.09789664
     25.0109600              0.1990898
     12.5926200              0.2020013
      6.3232020              0.9776064
      2.8833840             -3.0035790
      1.3828680              1.8016620
      0.6322010              0.9747971
      0.1492380             -3.8975570
      0.0684940              5.2279090
Fe    S
      5.6613                 1.0
Fe    S
      1.6068                 1.0
Fe    S
      0.0303810              1.0000000
Fe    S
      0.0134800              1.0000000
Fe    P
  38282.0500000              0.0000110
   9061.5560000              0.0000970
   2944.4500000              0.0005660
   1128.1580000              0.0025750
    480.3380000              0.0096760
    220.1368000              0.0306440
    106.5482000              0.0815530
     53.7426200              0.1752450
     27.8631800              0.2884650
     14.7438200              0.3307340
      7.8933510              0.2127700
      4.1794970              0.0562030
      2.1656690              0.0018070
      1.0972400             -0.0019990
      0.5360850             -0.0011550
      0.2023740             -0.0000790
      0.0817420             -0.0000030
Fe    P
  38282.0500000             -0.0000040
   9061.5560000             -0.0000340
   2944.4500000             -0.0001990
   1128.1580000             -0.0009110
    480.3380000             -0.0034370
    220.1368000             -0.0110420
    106.5482000             -0.0300610
     53.7426200             -0.0670490
     27.8631800             -0.1150700
     14.7438200             -0.1399170
      7.8933510             -0.0494800
      4.1794970              0.1917090
      2.1656690              0.4030120
      1.0972400              0.3807170
      0.5360850              0.1693050
      0.2023740              0.0178720
      0.0817420             -0.0014330
Fe    P
  38282.0500000              0.0000010
   9061.5560000              0.0000070
   2944.4500000              0.0000440
   1128.1580000              0.0001970
    480.3380000              0.0007510
    220.1368000              0.0023910
    106.5482000              0.0065950
     53.7426200              0.0145700
     27.8631800              0.0255290
     14.7438200              0.0304850
      7.8933510              0.0108530
      4.1794970             -0.0523850
      2.1656690             -0.1032710
      1.0972400             -0.1212410
      0.5360850              0.0008400
      0.2023740              0.3272880
      0.0817420              0.5442260
Fe    P
  38282.0500000              0.0000010
   9061.5560000              0.0000110
   2944.4500000              0.0000660
   1128.1580000              0.0002950
    480.3380000              0.0011340
    220.1368000              0.0035850
    106.5482000              0.0099500
     53.7426200              0.0218100
     27.8631800              0.0386610
     14.7438200              0.0456280
      7.8933510              0.0179580
      4.1794970             -0.0815930
      2.1656690             -0.1581940
      1.0972400             -0.1890710
      0.5360850              0.0446210
      0.2023740              0.6116920
      0.0817420              0.4461700
Fe    P
  38282.0500000              0.0000030
   9061.5560000              0.0000220
   2944.4500000              0.0001470
   1128.1580000              0.0005980
    480.3380000              0.0025270
    220.1368000              0.0072600
    106.5482000              0.0223000
     53.7426200              0.0435920
     27.8631800              0.0898240
     14.7438200              0.0863280
      7.8933510              0.0797000
      4.1794970             -0.2943090
      2.1656690             -0.4046430
      1.0972400             -0.3242020
      0.5360850              1.1898370
      0.2023740              0.2280980
      0.0817420             -0.8474340
Fe    P
  38282.0500000             -0.0000030
   9061.5560000             -0.0000330
   2944.4500000             -0.0001780
   1128.1580000             -0.0008800
    480.3380000             -0.0030750
    220.1368000             -0.0107140
    106.5482000             -0.0269530
     53.7426200             -0.0662790
     27.8631800             -0.1011440
     14.7438200             -0.1704670
      7.8933510             -0.0837750
      4.1794970              0.6056490
      2.1656690              0.9572390
      1.0972400             -1.7348360
      0.5360850             -0.0978650
      0.2023740              1.5748130
      0.0817420             -1.0818170
Fe    P
      8.3381                 1.0
Fe    P
      2.2565                 1.0
Fe    P
      0.0326620              1.0000000
Fe    P
      0.0130500              1.0000000
Fe    D
    338.5060000              0.0003560
    101.4920000              0.0032290
     39.1867000              0.0164140
     16.9034000              0.0551330
      7.7629600              0.1375020
      3.6988700              0.2425950
      1.7596300              0.3085230
      0.8166510              0.2998140
      0.3638210              0.2150480
      0.1525410              0.0925770
Fe    D
    338.5060000             -0.0003910
    101.4920000             -0.0035760
     39.1867000             -0.0181910
     16.9034000             -0.0620900
      7.7629600             -0.1592870
      3.6988700             -0.2697760
      1.7596300             -0.2389970
      0.8166510              0.0619850
      0.3638210              0.4136570
      0.1525410              0.4348780
Fe    D
    338.5060000             -0.0005650
    101.4920000             -0.0051850
     39.1867000             -0.0266110
     16.9034000             -0.0930790
      7.7629600             -0.2482970
      3.6988700             -0.3498230
      1.7596300              0.0369220
      0.8166510              0.6494720
      0.3638210              0.2342380
      0.1525410             -0.6097450
Fe    D
    338.5060000             -0.0008160
    101.4920000             -0.0071240
     39.1867000             -0.0385600
     16.9034000             -0.1335670
      7.7629600             -0.4152110
      3.6988700             -0.2793690
      1.7596300              0.9276650
      0.8166510              0.1855890
      0.3638210             -1.0796160
      0.1525410              0.4197090
Fe    D
      5.5048                 1.0
Fe    D
      2.9128                 1.0
Fe    D
      0.0579910              1.0000000
Fe    D
      0.0220500              1.0000000
Fe    F
      7.8340                 1.0
Fe    F
      3.2859                 1.0
Fe    F
      1.3782                 1.0
Fe    F
      0.4624000              1.0000000
Fe    F
      0.1551400              1.0000000
Fe    G
      6.3980                 1.0
Fe    G
      2.7936                 1.0
Fe    G
      1.0668000              1.0000000
Fe    G
      0.4073800              1.0000000
Fe    H
      5.9288                 1.0
Fe    H
      2.3842000              1.0000000
Fe    H
      0.9587800              1.0000000
end
basis "Co_aug-cc-pwcvqz" 
#basis SET: (151s,106p,44d,5f,4g,3h) -> [11s,10p,8d,5f,4g,3h]
Co    S
      0.1437022E+08          1.961579E-06
2151540.0000000              1.525308E-05
 489625.7000000              8.024671E-05
 138690.3000000              0.0003389582
  45249.8900000              0.001234551
  16337.6200000              0.004017237
   6373.0730000              0.01189936
   2643.9580000              0.03213721
   1153.6140000              0.0779997
    524.8606000              0.1626825
    247.3069000              0.2671849
    119.9063000              0.2881411
     58.9642900              0.1548301
     27.1361600              0.06451896
     13.6891200              0.1030728
      6.8827710              0.07137991
      3.1446470              0.009131332
      1.5062660             -0.0002919679
      0.6872680             -5.581488E-06
      0.1609720             -1.732351E-05
      0.0730170              2.132347E-05
Co    S
      0.1437022E+08         -1.032046E-06
2151540.0000000             -8.027614E-06
 489625.7000000             -4.22193E-05
 138690.3000000             -0.0001784817
  45249.8900000             -0.0006501411
  16337.6200000             -0.002121909
   6373.0730000             -0.006311755
   2643.9580000             -0.01727558
   1153.6140000             -0.04299353
    524.8606000             -0.09507125
    247.3069000             -0.1752212
    119.9063000             -0.2416127
     58.9642900             -0.1645933
     27.1361600              0.1880060
     13.6891200              0.5505157
      6.8827710              0.3701682
      3.1446470              0.05007243
      1.5062660             -0.003975686
      0.6872680             -0.0002896409
      0.1609720             -0.0002552515
      0.0730170              0.0002182807
Co    S
      0.1437022E+08          2.357772E-07
2151540.0000000              1.8353E-06
 489625.7000000              9.642951E-06
 138690.3000000              4.082978E-05
  45249.8900000              0.000148563
  16337.6200000              0.0004866688
   6373.0730000              0.001449618
   2643.9580000              0.004015116
   1153.6140000              0.0101482
    524.8606000              0.02342321
    247.3069000              0.0461722
    119.9063000              0.07262205
     58.9642900              0.0551247
     27.1361600             -0.09356803
     13.6891200             -0.3752066
      6.8827710             -0.3595010
      3.1446470              0.2821187
      1.5062660              0.6882851
      0.6872680              0.3243680
      0.1609720              0.01501498
      0.0730170             -0.003906005
Co    S
      0.1437022E+08         -4.98388E-08
2151540.0000000             -3.879304E-07
 489625.7000000             -2.038379E-06
 138690.3000000             -8.630129E-06
  45249.8900000             -3.140519E-05
  16337.6200000             -0.0001028682
   6373.0730000             -0.0003064776
   2643.9580000             -0.0008488581
   1153.6140000             -0.002146732
    524.8606000             -0.004957499
    247.3069000             -0.009792183
    119.9063000             -0.01545065
     58.9642900             -0.01181794
     27.1361600              0.02031574
     13.6891200              0.08494754
      6.8827710              0.0845587
      3.1446470             -0.07824438
      1.5062660             -0.2161403
      0.6872680             -0.2120657
      0.1609720              0.2777048
      0.0730170              0.5886342
Co    S
      0.1437022E+08         -9.633772E-08
2151540.0000000             -7.654083E-07
 489625.7000000             -3.90364E-06
 138690.3000000             -1.718665E-05
  45249.8900000             -5.95264E-05
  16337.6200000             -0.0002070482
   6373.0730000             -0.0005737293
   2643.9580000             -0.001731567
   1153.6140000             -0.003950029
    524.8606000             -0.01033969
    247.3069000             -0.01736027
    119.9063000             -0.03449074
     58.9642900             -0.0142204
     27.1361600              0.01816713
     13.6891200              0.2219044
      6.8827710              0.09496945
      3.1446470             -0.0535677
      1.5062660             -0.9071045
      0.6872680              0.3491874
      0.1609720              1.5866890
      0.0730170             -0.6425986
Co    S
      0.1437022E+08         -1.73362E-07
2151540.0000000             -1.376434E-06
 489625.7000000             -7.026909E-06
 138690.3000000             -3.089757E-05
  45249.8900000             -0.0001071929
  16337.6200000             -0.0003721161
   6373.0730000             -0.001033758
   2643.9580000             -0.003111602
   1153.6140000             -0.007127428
    524.8606000             -0.01859372
    247.3069000             -0.03148302
    119.9063000             -0.06222078
     58.9642900             -0.02684359
     27.1361600              0.0349936
     13.6891200              0.4220093
      6.8827710              0.2573147
      3.1446470             -0.5363089
      1.5062660             -1.8561120
      0.6872680              2.6514750
      0.1609720             -0.5228775
      0.0730170             -1.4830860
Co    S
      0.1437022E+08         -1.968109E-07
2151540.0000000             -1.439789E-06
 489625.7000000             -8.265947E-06
 138690.3000000             -3.108989E-05
  45249.8900000             -0.0001310184
  16337.6200000             -0.0003577366
   6373.0730000             -0.001321726
   2643.9580000             -0.00282163
   1153.6140000             -0.009692646
    524.8606000             -0.01528143
    247.3069000             -0.04871094
    119.9063000             -0.03611465
     58.9642900             -0.1014559
     27.1361600              0.2059185
     13.6891200              0.1740209
      6.8827710              1.0618960
      3.1446470             -3.1875120
      1.5062660              2.0527300
      0.6872680              0.7962451
      0.1609720             -3.7309490
      0.0730170              5.0181100
Co    S
      6.0721                 1.0
Co    S
      1.6842                 1.0
Co    S
      0.0320710              1.0000000
Co    S
      0.0140900              1.0000000
Co    P
  41961.4000000              0.0000110
   9928.3060000              0.0000950
   3224.9710000              0.0005570
   1235.2930000              0.0025380
    525.8469000              0.0095540
    240.9762000              0.0303350
    116.6418000              0.0809840
     58.8483400              0.1746920
     30.5291000              0.2885440
     16.1694300              0.3311360
      8.6642360              0.2128970
      4.5919430              0.0562950
      2.3810480              0.0018950
      1.2062460             -0.0019550
      0.5888220             -0.0011260
      0.2246580             -0.0000740
      0.0904360             -0.0000030
Co    P
  41961.4000000             -0.0000040
   9928.3060000             -0.0000340
   3224.9710000             -0.0001980
   1235.2930000             -0.0009060
    525.8469000             -0.0034280
    240.9762000             -0.0110390
    116.6418000             -0.0301570
     58.8483400             -0.0675490
     30.5291000             -0.1164660
     16.1694300             -0.1414410
      8.6642360             -0.0487170
      4.5919430              0.1946550
      2.3810480              0.4041480
      1.2062460              0.3789040
      0.5888220              0.1673060
      0.2246580              0.0177190
      0.0904360             -0.0012520
Co    P
  41961.4000000              0.0000010
   9928.3060000              0.0000070
   3224.9710000              0.0000440
   1235.2930000              0.0001990
    525.8469000              0.0007600
    240.9762000              0.0024250
    116.6418000              0.0067060
     58.8483400              0.0148900
     30.5291000              0.0261810
     16.1694300              0.0313100
      8.6642360              0.0108480
      4.5919430             -0.0538620
      2.3810480             -0.1061120
      1.2062460             -0.1217750
      0.5888220              0.0038630
      0.2246580              0.3271980
      0.0904360              0.5419610
Co    P
  41961.4000000              0.0000010
   9928.3060000              0.0000110
   3224.9710000              0.0000690
   1235.2930000              0.0003080
    525.8469000              0.0011870
    240.9762000              0.0037600
    116.6418000              0.0104780
     58.8483400              0.0230580
     30.5291000              0.0410950
     16.1694300              0.0485290
      8.6642360              0.0188210
      4.5919430             -0.0889830
      2.3810480             -0.1710610
      1.2062460             -0.1897640
      0.5888220              0.0718740
      0.2246580              0.6049170
      0.0904360              0.4357830
Co    P
  41961.4000000              0.0000030
   9928.3060000              0.0000230
   3224.9710000              0.0001500
   1235.2930000              0.0006200
    525.8469000              0.0025920
    240.9762000              0.0075710
    116.6418000              0.0230010
     58.8483400              0.0459430
     30.5291000              0.0929370
     16.1694300              0.0934070
      8.6642360              0.0801520
      4.5919430             -0.3177930
      2.3810480             -0.4378130
      1.2062460             -0.2329460
      0.5888220              1.1648970
      0.2246580              0.1731560
      0.0904360             -0.8160710
Co    P
  41961.4000000             -0.0000040
   9928.3060000             -0.0000330
   3224.9710000             -0.0001850
   1235.2930000             -0.0008870
    525.8469000             -0.0032040
    240.9762000             -0.0108490
    116.6418000             -0.0283310
     58.8483400             -0.0673690
     30.5291000             -0.1083230
     16.1694300             -0.1719860
      8.6642360             -0.1084480
      4.5919430              0.7416070
      2.3810480              0.8082640
      1.2062460             -1.7802720
      0.5888220              0.0636530
      0.2246580              1.4742420
      0.0904360             -1.0385490
Co    P
      9.3655                 1.0
Co    P
      2.5688                 1.0
Co    P
      0.0358480              1.0000000
Co    P
      0.0142100              1.0000000
Co    D
    375.3200000              0.0003560
    112.6040000              0.0032390
     43.5190000              0.0165690
     18.8147000              0.0559830
      8.6649100              0.1394030
      4.1371100              0.2443780
      1.9708000              0.3081070
      0.9150070              0.2972660
      0.4073700              0.2136850
      0.1704440              0.0934140
Co    D
    375.3200000             -0.0004110
    112.6040000             -0.0037740
     43.5190000             -0.0193160
     18.8147000             -0.0664370
      8.6649100             -0.1705420
      4.1371100             -0.2854770
      1.9708000             -0.2328840
      0.9150070              0.0944710
      0.4073700              0.4201780
      0.1704440              0.4094740
Co    D
    375.3200000             -0.0005450
    112.6040000             -0.0050280
     43.5190000             -0.0259450
     18.8147000             -0.0911040
      8.6649100             -0.2453950
      4.1371100             -0.3481600
      1.9708000              0.0700830
      0.9150070              0.6494450
      0.4073700              0.1939420
      0.1704440             -0.6184680
Co    D
    375.3200000             -0.0008270
    112.6040000             -0.0070410
     43.5190000             -0.0392680
     18.8147000             -0.1333410
      8.6649100             -0.4342300
      4.1371100             -0.2565540
      1.9708000              0.9662400
      0.9150070              0.1097980
      0.4073700             -1.0470350
      0.1704440              0.4375990
Co    D
      6.2594                 1.0
Co    D
      3.3241                 1.0
Co    D
      0.0643790              1.0000000
Co    D
      0.0243200              1.0000000
Co    F
      9.0321                 1.0
Co    F
      3.8111                 1.0
Co    F
      1.6081                 1.0
Co    F
      0.5442000              1.0000000
Co    F
      0.1841600              1.0000000
Co    G
      7.3560                 1.0
Co    G
      3.2498                 1.0
Co    G
      1.2700000              1.0000000
Co    G
      0.4963100              1.0000000
Co    H
      6.7510                 1.0
Co    H
      2.7959000              1.0000000
Co    H
      1.1579100              1.0000000
end
basis "Ni_aug-cc-pwcvqz" 
#basis SET: (151s,105p,44d,5f,4g,3h) -> [11s,10p,8d,5f,4g,3h]
Ni    S
15503020.0000000             2.085023E-06
2321071.0000000              1.621425E-05
 528180.2000000              8.530773E-05
 149604.0000000              0.0003603793
  48809.0700000              0.001312632
  17622.3900000              0.004272395
   6874.2010000              0.01265994
   2851.8570000              0.03423065
   1244.3340000              0.08326735
    566.1547000              0.1745758
    266.7873000              0.2898023
    129.3752000              0.3207323
     63.6516100              0.1778265
     29.3330200              0.03633007
     14.8221200              0.02089458
      7.4605130              0.01596954
      3.4135760              0.001730245
      1.6328840              0.0004817365
      0.7435790              0.00012468
      0.1725920              2.340378E-05
      0.0774200             -1.348962E-05
Ni    S
15503020.0000000            -7.298155E-07
2321071.0000000             -5.677768E-06
 528180.2000000             -2.985922E-05
 149604.0000000             -0.0001262784
  48809.0700000             -0.0004600252
  17622.3900000             -0.00150323
   6874.2010000             -0.004479171
   2851.8570000             -0.01232512
   1244.3340000             -0.03097639
    566.1547000             -0.06998651
    266.7873000             -0.1339256
    129.3752000             -0.1966881
     63.6516100             -0.1402258
     29.3330200              0.1960730
     14.8221200              0.5564517
      7.4605130              0.3702167
      3.4135760              0.05396034
      1.6328840              0.004706492
      0.7435790              0.003736115
      0.1725920             -7.46805E-05
      0.0774200              9.575336E-05
Ni    S
15503020.0000000             2.453237E-07
2321071.0000000              1.909637E-06
 528180.2000000              1.003489E-05
 149604.0000000              4.248835E-05
  48809.0700000              0.0001546187
  17622.3900000              0.000506455
   6874.2010000              0.00150884
   2851.8570000              0.004178816
   1244.3340000              0.01056668
    566.1547000              0.0243930
    266.7873000              0.04812101
    129.3752000              0.0756517
     63.6516100              0.05748534
     29.3330200             -0.09783186
     14.8221200             -0.3864536
      7.4605130             -0.3606598
      3.4135760              0.2888650
      1.6328840              0.6830917
      0.7435790              0.3206778
      0.1725920              0.01651471
      0.0774200              0.0003124693
Ni    S
15503020.0000000            -5.114261E-08
2321071.0000000             -3.980779E-07
 528180.2000000             -2.092033E-06
 149604.0000000             -8.856836E-06
  48809.0700000             -3.223602E-05
  17622.3900000             -0.0001055757
   6874.2010000             -0.0003146356
   2851.8570000             -0.0008714113
   1244.3340000             -0.002205415
    566.1547000             -0.005095517
    266.7873000             -0.01008237
    129.3752000             -0.0159207
     63.6516100             -0.01222037
     29.3330200              0.02115869
     14.8221200              0.08747304
      7.4605130              0.08511605
      3.4135760             -0.08115683
      1.6328840             -0.2166359
      0.7435790             -0.2076958
      0.1725920              0.2699296
      0.0774200              0.5842711
Ni    S
15503020.0000000            -9.762069E-08
2321071.0000000             -7.741142E-07
 528180.2000000             -3.959746E-06
 149604.0000000             -1.736914E-05
  48809.0700000             -6.044953E-05
  17622.3900000             -0.0002090555
   6874.2010000             -0.0005834312
   2851.8570000             -0.001746713
   1244.3340000             -0.004026784
    566.1547000             -0.01042362
    266.7873000             -0.01781172
    129.3752000             -0.03466996
     63.6516100             -0.01540945
     29.3330200              0.02086455
     14.8221200              0.2206820
      7.4605130              0.1073966
      3.4135760             -0.08310668
      1.6328840             -0.8942999
      0.7435790              0.3750141
      0.1725920              1.4967530
      0.0774200             -0.5320390
Ni    S
15503020.0000000            -1.771733E-07
2321071.0000000             -1.397615E-06
 528180.2000000             -7.203859E-06
 149604.0000000             -3.128552E-05
  48809.0700000             -0.0001102699
  17622.3900000             -0.0003755735
   6874.2010000             -0.0010679
   2851.8570000             -0.003128427
   1244.3340000             -0.007410272
    566.1547000             -0.01859501
    266.7873000             -0.03322798
    129.3752000             -0.0611844
     63.6516100             -0.03286334
     29.3330200              0.04844202
     14.8221200              0.3989880
      7.4605130              0.3379290
      3.4135760             -0.7016224
      1.6328840             -1.6944340
      0.7435790              2.5826800
      0.1725920             -0.5498758
      0.0774200             -1.3945510
Ni    S
15503020.0000000            -1.988311E-07
2321071.0000000             -1.449716E-06
 528180.2000000             -8.363444E-06
 149604.0000000             -3.125532E-05
  48809.0700000             -0.0001327624
  17622.3900000             -0.0003589662
   6874.2010000             -0.001341488
   2851.8570000             -0.002824018
   1244.3340000             -0.009863607
    566.1547000             -0.01523481
    266.7873000             -0.04984489
    129.3752000             -0.03522354
     63.6516100             -0.1056424
     29.3330200              0.2138034
     14.8221200              0.1517675
      7.4605130              1.1804280
      3.4135760             -3.5264900
      1.6328840              2.5508150
      0.7435790              0.4306461
      0.1725920             -3.4500410
      0.0774200              4.7403420
Ni    S
      6.5001                 1.0
Ni    S
      1.7599                 1.0
Ni    S
      0.0337010              1.0000000
Ni    S
      0.0146700              1.0000000
Ni    P
  45066.6200000             -0.0000040
  10662.6400000             -0.0000350
   3463.4310000             -0.0002020
   1326.6240000             -0.0009250
    564.7414000             -0.0034990
    258.8288000             -0.0112800
    125.3115000             -0.0308190
     63.2423300             -0.0690360
     32.8240600             -0.1187330
     17.3969200             -0.1424430
      9.3243940             -0.0431070
      4.9388390              0.2034990
      2.5620250              0.4062280
      1.2992940              0.3709380
      0.6346780              0.1643120
      0.2322620              0.0172650
      0.0915460             -0.0016820
Ni    P
  45066.6200000              0.0000010
  10662.6400000              0.0000070
   3463.4310000              0.0000410
   1326.6240000              0.0001860
    564.7414000              0.0007120
    258.8288000              0.0022690
    125.3115000              0.0062910
     63.2423300              0.0139340
     32.8240600              0.0245310
     17.3969200              0.0287700
      9.3243940              0.0087810
      4.9388390             -0.0517310
      2.5620250             -0.0959450
      1.2992940             -0.1106750
      0.6346780              0.0027270
      0.2322620              0.3150270
      0.0915460              0.5428100
Ni    P
  45066.6200000              0.0000020
  10662.6400000              0.0000140
   3463.4310000              0.0000840
   1326.6240000              0.0003710
    564.7414000              0.0014600
    258.8288000              0.0045370
    125.3115000              0.0129220
     63.2423300              0.0277660
     32.8240600              0.0509560
     17.3969200              0.0567450
      9.3243940              0.0241190
      4.9388390             -0.1250870
      2.5620250             -0.2065410
      1.2992940             -0.2149830
      0.6346780              0.2078190
      0.2322620              0.6385420
      0.0915460              0.3262840
Ni    P
  45066.6200000              0.0000030
  10662.6400000              0.0000240
   3463.4310000              0.0001550
   1326.6240000              0.0006460
    564.7414000              0.0026890
    258.8288000              0.0078990
    125.3115000              0.0239120
     63.2423300              0.0480060
     32.8240600              0.0962130
     17.3969200              0.0975820
      9.3243940              0.0770220
      4.9388390             -0.3601360
      2.5620250             -0.4455890
      1.2992940             -0.1165380
      0.6346780              1.1705030
      0.2322620             -0.0389310
      0.0915460             -0.7688140
Ni    P
  45066.6200000              0.0000040
  10662.6400000              0.0000360
   3463.4310000              0.0001990
   1326.6240000              0.0009590
    564.7414000              0.0034630
    258.8288000              0.0117560
    125.3115000              0.0306900
     63.2423300              0.0730810
     32.8240600              0.1168270
     17.3969200              0.1911630
      9.3243940              0.1065430
      4.9388390             -0.9499240
      2.5620250             -0.5636050
      1.2992940              1.9346110
      0.6346780             -0.5101770
      0.2322620             -1.1722970
      0.0915460              1.0158980
Ni    P
  45066.6200000              0.0000110
  10662.6400000              0.0000960
   3463.4310000              0.0005640
   1326.6240000              0.0025700
    564.7414000              0.0096770
    258.8288000              0.0307420
    125.3115000              0.0820650
     63.2423300              0.1768450
     32.8240600              0.2911620
     17.3969200              0.3308160
      9.3243940              0.2088190
      4.9388390              0.0537390
      2.5620250              0.0017090
      1.2992940             -0.0017980
      0.6346780             -0.0010460
      0.2322620             -0.0000620
Ni    P
     10.4165                 1.0
Ni    P
      2.9093                 1.0
Ni    P
      0.0356430              1.0000000
Ni    P
      0.0138800              1.0000000
Ni    D
    414.3427000              0.0003500
    124.3926000              0.0032000
     48.1154000              0.0164770
     20.8420000              0.0560010
      9.6221000              0.1392340
      4.6034000              0.2427760
      2.1963000              0.3040690
      1.0206000              0.2933190
      0.4544000              0.2172590
      0.1900000              0.1046990
Ni    D
    414.3427000             -0.0003620
    124.3926000             -0.0033350
     48.1154000             -0.0171760
     20.8420000             -0.0592450
      9.6221000             -0.1512320
      4.6034000             -0.2544610
      2.1963000             -0.2287180
      1.0206000              0.0206160
      0.4544000              0.3427530
      0.1900000              0.4738710
Ni    D
    414.3427000             -0.0005290
    124.3926000             -0.0049280
     48.1154000             -0.0253720
     20.8420000             -0.0896540
      9.6221000             -0.2387440
      4.6034000             -0.3597210
      2.1963000              0.0044440
      1.0206000              0.5965470
      0.4544000              0.3313020
      0.1900000             -0.5090090
Ni    D
    414.3427000             -0.0007870
    124.3926000             -0.0067780
     48.1154000             -0.0377260
     20.8420000             -0.1291250
      9.6221000             -0.4148090
      4.6034000             -0.2839570
      2.1963000              0.8671940
      1.0206000              0.2723270
      0.4544000             -0.9868420
      0.1900000              0.1853600
Ni    D
      6.9565                 1.0
Ni    D
      3.6674                 1.0
Ni    D
      0.0715000              1.0000000
Ni    D
      0.0269100              1.0000000
Ni    F
     10.3791                 1.0
Ni    F
      4.4257                 1.0
Ni    F
      1.8872                 1.0
Ni    F
      0.6538000              1.0000000
Ni    F
      0.2265000              1.0000000
Ni    G
      8.5105                 1.0
Ni    G
      3.8307                 1.0
Ni    G
      1.5457000              1.0000000
Ni    G
      0.6237000              1.0000000
Ni    H
      7.7448                 1.0
Ni    H
      3.3495000              1.0000000
Ni    H
      1.4486000              1.0000000
end
basis "Cu_aug-cc-pwcvqz" 
#basis SET: (151s,105p,44d,5f,4g,3h) -> [11s,10p,8d,5f,4g,3h]
Cu    S
16665490.0000000             1.92221E-06
2495213.0000000              1.494655E-05
 567850.7000000              7.863106E-05
 160853.1000000              0.0003321189
  52481.8600000              0.001209649
  18948.8500000              0.003936231
   7391.6550000              0.01166031
   3066.5170000              0.03149512
   1337.9940000              0.07646385
    608.7830000              0.1595162
    286.8980000              0.2618983
    139.1530000              0.2816708
     68.4945500              0.1509587
     31.6010800              0.07041955
     15.9915800              0.1180039
      8.0565100              0.08015187
      3.6903290              0.01020122
      1.7629020             -0.0003720464
      0.8012690             -2.206886E-05
      0.1842430             -2.401085E-05
      0.0817930              1.529816E-05
Cu    S
16665490.0000000            -1.082642E-06
2495213.0000000             -8.420869E-06
 567850.7000000             -4.428625E-05
 160853.1000000             -0.0001872071
  52481.8600000             -0.0006819265
  18948.8500000             -0.002225485
   7391.6550000             -0.00661962
   3066.5170000             -0.0181140
   1337.9940000             -0.04506622
    608.7830000             -0.09955443
    286.8980000             -0.1830558
    139.1530000             -0.2510577
     68.4945500             -0.1703417
     31.6010800              0.1900077
     15.9915800              0.5507048
      8.0565100              0.3642532
      3.6903290              0.04868977
      1.7629020             -0.003799993
      0.8012690             -0.0003156308
      0.1842430             -0.0002430411
      0.0817930              0.0001553645
Cu    S
16665490.0000000             2.389605E-07
2495213.0000000              1.860009E-06
 567850.7000000              9.77258E-06
 160853.1000000              4.137619E-05
  52481.8600000              0.0001505588
  18948.8500000              0.0004932175
   7391.6550000              0.001469467
   3066.5170000              0.004071487
   1337.9940000              0.01030091
    608.7830000              0.02381408
    286.8980000              0.04707008
    139.1530000              0.0742445
     68.4945500              0.05657657
     31.6010800             -0.09760862
     15.9915800             -0.3856399
      8.0565100             -0.3540312
      3.6903290              0.2983959
      1.7629020              0.6861809
      0.8012690              0.3150989
      0.1842430              0.01394564
      0.0817930             -0.00361164
Cu    S
16665490.0000000            -4.823436E-08
2495213.0000000             -3.753858E-07
 567850.7000000             -1.972743E-06
 160853.1000000             -8.349961E-06
  52481.8600000             -3.039535E-05
  18948.8500000             -9.95301E-05
   7391.6550000             -0.0002967188
   3066.5170000             -0.0008217293
   1337.9940000             -0.002081377
    608.7830000             -0.004811149
    286.8980000             -0.009537683
    139.1530000             -0.01507351
     68.4945500             -0.01161088
     31.6010800              0.02032716
     15.9915800              0.08327403
      8.0565100              0.07953125
      3.6903290             -0.07901524
      1.7629020             -0.2054312
      0.8012690             -0.1985134
      0.1842430              0.2627133
      0.0817930              0.5794031
Cu    S
16665490.0000000            -8.876635E-08
2495213.0000000             -7.032135E-07
 567850.7000000             -3.601366E-06
 160853.1000000             -1.576871E-05
  52481.8600000             -5.499726E-05
  18948.8500000             -0.0001897055
   7391.6550000             -0.0005311656
   3066.5170000             -0.001584593
   1337.9940000             -0.003671316
    608.7830000             -0.009458893
    286.8980000             -0.01630134
    139.1530000             -0.03145402
     68.4945500             -0.01444712
     31.6010800              0.02037856
     15.9915800              0.1997307
      8.0565100              0.09475926
      3.6903290             -0.07935398
      1.7629020             -0.7591353
      0.8012690              0.2365079
      0.1842430              1.4226040
      0.0817930             -0.3066203
Cu    S
16665490.0000000            -1.849356E-07
2495213.0000000             -1.461905E-06
 567850.7000000             -7.510534E-06
 160853.1000000             -3.274989E-05
  52481.8600000             -0.0001148239
  18948.8500000             -0.0003935903
   7391.6550000             -0.001110617
   3066.5170000             -0.003284174
   1337.9940000             -0.007697235
    608.7830000             -0.01959013
    286.8980000             -0.03444712
    139.1530000             -0.06507176
     68.4945500             -0.03269416
     31.6010800              0.04738915
     15.9915800              0.4333712
      8.0565100              0.3189521
      3.6903290             -0.7281955
      1.7629020             -1.6631160
      0.8012690              2.5132670
      0.1842430             -0.3736861
      0.0817930             -1.4791020
Cu    S
16665490.0000000            -1.980951E-07
2495213.0000000             -1.446191E-06
 567850.7000000             -8.326308E-06
 160853.1000000             -3.11938E-05
  52481.8600000             -0.0001320842
  18948.8500000             -0.0003585362
   7391.6550000             -0.001333996
   3066.5170000             -0.002824728
   1337.9940000             -0.009806333
    608.7830000             -0.01529323
    286.8980000             -0.04956573
    139.1530000             -0.03583468
     68.4945500             -0.1044906
     31.6010800              0.2105854
     15.9915800              0.1646732
      8.0565100              1.1505130
      3.6903290             -3.4837320
      1.7629020              2.5166360
      0.8012690              0.4429064
      0.1842430             -3.4043100
      0.0817930              4.6278500
Cu    S
      7.2310                 1.0
Cu    S
      1.9080                 1.0
Cu    S
      0.0353030              1.0000000
Cu    S
      0.0152400              1.0000000
Cu    P
  48218.4100000             -0.0000040
  11420.5500000             -0.0000350
   3713.5690000             -0.0002060
   1423.7620000             -0.0009410
    606.6041000             -0.0035560
    278.2564000             -0.0114610
    134.8449000             -0.0313090
     68.1225400             -0.0701390
     35.4008800             -0.1205620
     18.7902900             -0.1435520
     10.0835600             -0.0403270
      5.3461200              0.2084660
      2.7752280              0.4087240
      1.4075640              0.3682010
      0.6872130              0.1596530
      0.2468220              0.0159550
      0.0962200             -0.0016810
Cu    P
  48218.4100000              0.0000010
  11420.5500000              0.0000070
   3713.5690000              0.0000400
   1423.7620000              0.0001820
    606.6041000              0.0006970
    278.2564000              0.0022200
    134.8449000              0.0061630
     68.1225400              0.0136310
     35.4008800              0.0240330
     18.7902900              0.0278620
     10.0835600              0.0079750
      5.3461200             -0.0511330
      2.7752280             -0.0923050
      1.4075640             -0.1064580
      0.6872130              0.0037380
      0.2468220              0.3105410
      0.0962200              0.5419030
Cu    P
  48218.4100000              0.0000020
  11420.5500000              0.0000130
   3713.5690000              0.0000790
   1423.7620000              0.0003490
    606.6041000              0.0013730
    278.2564000              0.0042610
    134.8449000              0.0121460
     68.1225400              0.0260640
     35.4008800              0.0479070
     18.7902900              0.0528290
     10.0835600              0.0215750
      5.3461200             -0.1177830
      2.7752280             -0.1883970
      1.4075640             -0.2019160
      0.6872130              0.1737430
      0.2468220              0.6368480
      0.0962200              0.3515180
Cu    P
  48218.4100000              0.0000030
  11420.5500000              0.0000250
   3713.5690000              0.0001630
   1423.7620000              0.0006760
    606.6041000              0.0028080
    278.2564000              0.0082550
    134.8449000              0.0249460
     68.1225400              0.0501600
     35.4008800              0.1002890
     18.7902900              0.1023190
     10.0835600              0.0772410
      5.3461200             -0.3844490
      2.7752280             -0.4513540
      1.4075640             -0.0947780
      0.6872130              1.1731180
      0.2468220             -0.0541330
      0.0962200             -0.7282440
Cu    P
  48218.4100000              0.0000040
  11420.5500000              0.0000370
   3713.5690000              0.0001900
   1423.7620000              0.0009780
    606.6041000              0.0033080
    278.2564000              0.0119800
    134.8449000              0.0292070
     68.1225400              0.0751220
     35.4008800              0.1078350
     18.7902900              0.2073790
     10.0835600              0.0604060
      5.3461200             -0.8949770
      2.7752280             -0.5584020
      1.4075640              1.8997060
      0.6872130             -0.5022240
      0.2468220             -1.1824130
      0.0962200              1.0445070
Cu    P
  48218.4100000              0.0000110
  11420.5500000              0.0000970
   3713.5690000              0.0005690
   1423.7620000              0.0025890
    606.6041000              0.0097420
    278.2564000              0.0309300
    134.8449000              0.0825300
     68.1225400              0.1777580
     35.4008800              0.2922250
     18.7902900              0.3303490
     10.0835600              0.2068630
      5.3461200              0.0527930
      2.7752280              0.0017180
      1.4075640             -0.0017010
      0.6872130             -0.0009760
      0.2468220             -0.0000540
Cu    P
     11.9218                 1.0
Cu    P
      3.2325                 1.0
Cu    P
      0.0370370              1.0000000
Cu    P
      0.0142600              1.0000000
Cu    D
    527.8860000              0.0002560
    158.7330000              0.0023780
     61.5556000              0.0127220
     26.8834000              0.0450120
     12.5175000              0.1171960
      6.0697700              0.2185550
      2.9583190              0.2914480
      1.4141220              0.2971380
      0.6533290              0.2360920
      0.2866920              0.1314440
Cu    D
    527.8860000             -0.0003160
    158.7330000             -0.0029580
     61.5556000             -0.0158770
     26.8834000             -0.0568640
     12.5175000             -0.1535840
      6.0697700             -0.2811390
      2.9583190             -0.2685180
      1.4141220              0.0231300
      0.6533290              0.3566200
      0.2866920              0.4184700
Cu    D
    527.8860000              0.0003790
    158.7330000              0.0035730
     61.5556000              0.0192290
     26.8834000              0.0699030
     12.5175000              0.1993800
      6.0697700              0.3488480
      2.9583190              0.0513940
      1.4141220             -0.5596790
      0.6533290             -0.3845810
      0.2866920              0.4389250
Cu    D
    527.8860000             -0.0005930
    158.7330000             -0.0051060
     61.5556000             -0.0299220
     26.8834000             -0.1032930
     12.5175000             -0.3595680
      6.0697700             -0.4128070
      2.9583190              0.7476890
      1.4141220              0.5425150
      0.6533290             -0.9777060
      0.2866920             -0.0886030
Cu    D
      8.4804                 1.0
Cu    D
      4.4553                 1.0
Cu    D
      0.1150140              1.0000000
Cu    D
      0.0461400              1.0000000
Cu    F
     11.9463                 1.0
Cu    F
      5.0345                 1.0
Cu    F
      2.1217                 1.0
Cu    F
      0.7391000              1.0000000
Cu    F
      0.2574700              1.0000000
Cu    G
      9.5934                 1.0
Cu    G
      4.3083                 1.0
Cu    G
      1.7760000              1.0000000
Cu    G
      0.7321200              1.0000000
Cu    H
      8.5704                 1.0
Cu    H
      3.7909000              1.0000000
Cu    H
      1.6768100              1.0000000
end
basis "Zn_aug-cc-pwcvqz" 
#basis SET: (151s,106p,44d,5f,4g,3h) -> [11s,10p,8d,5f,4g,3h]
Zn    S
      0.1785293E+08          2.106603E-06
2673038.0000000              1.638051E-05
 608324.4000000              8.617178E-05
 172317.6000000              0.0003640028
  56222.6900000              0.001325778
  20299.8500000              0.004315394
   7918.8710000              0.01278917
   3285.3400000              0.03459541
   1433.5240000              0.08423468
    652.2889000              0.1769497
    307.4360000              0.2947718
    149.1466000              0.3286054
     73.4510800              0.1837326
     33.9256200              0.0284564
     17.1894700             -0.001562471
      8.6665950              0.001057694
      3.9725050             -0.0004832147
      1.8946650              0.0001795943
      0.8593850             -7.198366E-05
      0.1952560              2.200105E-05
      0.0858540             -1.56551E-05
Zn    S
      0.1785293E+08         -6.503871E-07
2673038.0000000             -5.059606E-06
 608324.4000000             -2.660362E-05
 172317.6000000             -0.0001125168
  56222.6900000             -0.0004098844
  20299.8500000             -0.001340085
   7918.8710000             -0.003996271
   3285.3400000             -0.01102397
   1433.5240000             -0.02783658
    652.2889000             -0.0635220
    307.4360000             -0.1235647
    149.1466000             -0.1860330
     73.4510800             -0.1345412
     33.9256200              0.2026370
     17.1894700              0.5627948
      8.6665950              0.3687315
      3.9725050              0.05055865
      1.8946650             -0.00028561
      0.8593850              0.001213965
      0.1952560             -0.0001706895
      0.0858540              0.0001266229
Zn    S
      0.1785293E+08          2.455424E-07
2673038.0000000              1.911263E-06
 608324.4000000              1.004137E-05
 172317.6000000              4.25171E-05
  56222.6900000              0.0001546957
  20299.8500000              0.0005068054
   7918.8710000              0.001509742
   3285.3400000              0.004183744
   1433.5240000              0.01058425
    652.2889000              0.02447935
    307.4360000              0.04837945
    149.1466000              0.07630985
     73.4510800              0.05798021
     33.9256200             -0.1010517
     17.1894700             -0.3950702
      8.6665950             -0.3534286
      3.9725050              0.3070109
      1.8946650              0.6935144
      0.8593850              0.3040583
      0.1952560              0.01003318
      0.0858540             -0.004007622
Zn    S
      0.1785293E+08          4.916948E-08
2673038.0000000              3.829348E-07
 608324.4000000              2.010287E-06
 172317.6000000              8.520784E-06
  56222.6900000              3.096268E-05
  20299.8500000              0.000101604
   7918.8710000              0.0003021322
   3285.3400000              0.0008393851
   1433.5240000              0.00211904
    652.2889000              0.004923291
    307.4360000              0.009713665
    149.1466000              0.01549413
     73.4510800              0.0117057
     33.9256200             -0.02068558
     17.1894700             -0.08652477
      8.6665950             -0.07840824
      3.9725050              0.07950591
      1.8946650              0.2182560
      0.8593850              0.1957366
      0.1952560             -0.3195337
      0.0858540             -0.5833695
Zn    S
      0.1785293E+08         -1.379282E-07
2673038.0000000             -1.098688E-06
 608324.4000000             -5.581627E-06
 172317.6000000             -2.469757E-05
  56222.6900000             -8.4997E-05
  20299.8500000             -0.000297955
   7918.8710000             -0.0008180999
   3285.3400000             -0.002498043
   1433.5240000             -0.005630866
    652.2889000             -0.01501607
    307.4360000             -0.02479935
    149.1466000             -0.05092472
     73.4510800             -0.01923797
     33.9256200              0.0248084
     17.1894700              0.3402582
      8.6665950              0.1317501
      3.9725050             -0.2092734
      1.8946650             -1.2899700
      0.8593850              0.9898685
      0.1952560              1.4779600
      0.0858540             -1.2347640
Zn    S
      0.1785293E+08         -1.951222E-07
2673038.0000000             -1.513488E-06
 608324.4000000             -7.991991E-06
 172317.6000000             -3.361493E-05
  56222.6900000             -0.0001233416
  20299.8500000             -0.0004000292
   7918.8710000             -0.001206705
   3285.3400000             -0.003298144
   1433.5240000             -0.008503531
    652.2889000             -0.01932075
    307.4360000             -0.0395118
    149.1466000             -0.06074193
     73.4510800             -0.05154698
     33.9256200              0.0906352
     17.1894700              0.3930253
      8.6665950              0.5283548
      3.9725050             -1.4626110
      1.8946650             -0.8366769
      0.8593850              2.6151680
      0.1952560             -2.2413220
      0.0858540              0.7597394
Zn    S
      0.1785293E+08         -2.631275E-07
2673038.0000000             -1.954514E-06
 608324.4000000             -1.098059E-05
 172317.6000000             -4.252529E-05
  56222.6900000             -0.0001728905
  20299.8500000             -0.0004940605
   7918.8710000             -0.001731281
   3285.3400000             -0.003952778
   1433.5240000             -0.01260194
    652.2889000             -0.02205362
    307.4360000             -0.06268701
    149.1466000             -0.05878225
     73.4510800             -0.1200370
     33.9256200              0.2236128
     17.1894700              0.4980742
      8.6665950              1.1915800
      3.9725050             -5.6490630
      1.8946650              6.8434890
      0.8593850             -3.3201000
      0.1952560             -0.2249601
      0.0858540              1.9021540
Zn    S
      8.3276                 1.0
Zn    S
      3.4194                 1.0
Zn    S
      0.0367810              1.0000000
Zn    S
      0.0157600              1.0000000
Zn    P
  52867.9300000              0.0000110
  12511.7900000              0.0000940
   4065.2860000              0.0005510
   1557.5950000              0.0025110
    663.2892000              0.0094700
    304.1561000              0.0301690
    147.3680000              0.0808550
     74.4546900              0.1751390
     38.7149300              0.2897160
     20.5702200              0.3298490
     11.0542500              0.2092940
      5.8746610              0.0562590
      3.0529360              0.0050520
      1.5472250              0.0009970
      0.7541510              0.0001870
      0.2653490              0.0000510
      0.1020670             -0.0000130
Zn    P
  52867.9300000             -0.0000040
  12511.7900000             -0.0000350
   4065.2860000             -0.0002060
   1557.5950000             -0.0009420
    663.2892000             -0.0035700
    304.1561000             -0.0115400
    147.3680000             -0.0316520
     74.4546900             -0.0712850
     38.7149300             -0.1232840
     20.5702200             -0.1476380
     11.0542500             -0.0444770
      5.8746610              0.2053650
      3.0529360              0.4100860
      1.5472250              0.3721450
      0.7541510              0.1581180
      0.2653490              0.0145400
      0.1020670             -0.0016080
Zn    P
  52867.9300000              0.0000010
  12511.7900000              0.0000060
   4065.2860000              0.0000380
   1557.5950000              0.0001730
    663.2892000              0.0006640
    304.1561000              0.0021200
    147.3680000              0.0059160
     74.4546900              0.0131530
     38.7149300              0.0233720
     20.5702200              0.0272210
     11.0542500              0.0083340
      5.8746610             -0.0488600
      3.0529360             -0.0888940
      1.5472250             -0.1036180
      0.7541510              0.0010510
      0.2653490              0.3030640
      0.1020670              0.5427240
Zn    P
  52867.9300000              0.0000010
  12511.7900000              0.0000110
   4065.2860000              0.0000670
   1557.5950000              0.0002960
    663.2892000              0.0011570
    304.1561000              0.0036340
    147.3680000              0.0103070
     74.4546900              0.0224820
     38.7149300              0.0410330
     20.5702200              0.0464600
     11.0542500              0.0181460
      5.8746610             -0.0943640
      3.0529360             -0.1601770
      1.5472250             -0.1808950
      0.7541510              0.0948260
      0.2653490              0.6291530
      0.1020670              0.4083180
Zn    P
  52867.9300000              0.0000030
  12511.7900000              0.0000240
   4065.2860000              0.0001590
   1557.5950000              0.0006460
    663.2892000              0.0027470
    304.1561000              0.0079380
    147.3680000              0.0246010
     74.4546900              0.0485760
     38.7149300              0.1006820
     20.5702200              0.0984680
     11.0542500              0.0862350
      5.8746610             -0.3793800
      3.0529360             -0.4203930
      1.5472250             -0.1825620
      0.7541510              1.1778870
      0.2653490              0.0519740
      0.1020670             -0.7444770
Zn    P
  52867.9300000             -0.0000030
  12511.7900000             -0.0000360
   4065.2860000             -0.0001740
   1557.5950000             -0.0009530
    663.2892000             -0.0030470
    304.1561000             -0.0117360
    147.3680000             -0.0270160
     74.4546900             -0.0747980
     38.7149300             -0.0982370
     20.5702200             -0.2150840
     11.0542500             -0.0322140
      5.8746610              0.7563080
      3.0529360              0.7019320
      1.5472250             -1.8141870
      0.7541510              0.2914540
      0.2653490              1.2956230
      0.1020670             -1.0670890
Zn    P
     12.5357                 1.0
Zn    P
      3.4227                 1.0
Zn    P
      0.0387550              1.0000000
Zn    P
      0.0147200              1.0000000
Zn    D
    639.7806000              0.0002080
    192.6742000              0.0019540
     74.8436800              0.0107110
     32.8604800              0.0390570
     15.3935300              0.1048480
      7.5255120              0.2045690
      3.7154290              0.2852080
      1.8064590              0.3014460
      0.8529730              0.2462280
      0.3847800              0.1390160
Zn    D
    639.7806000             -0.0002900
    192.6742000             -0.0027380
     74.8436800             -0.0151110
     32.8604800             -0.0556430
     15.3935300             -0.1558640
      7.5255120             -0.3034890
      3.7154290             -0.3062760
      1.8064590              0.0333950
      0.8529730              0.4000750
      0.3847800              0.3899720
Zn    D
    639.7806000             -0.0003170
    192.6742000             -0.0030560
     74.8436800             -0.0167530
     32.8604800             -0.0627120
     15.3935300             -0.1879800
      7.5255120             -0.3720840
      3.7154290             -0.0234390
      1.8064590              0.6054700
      0.8529730              0.3230630
      0.3847800             -0.4713720
Zn    D
    639.7806000              0.0004520
    192.6742000              0.0038790
     74.8436800              0.0235700
     32.8604800              0.0825260
     15.3935300              0.2972800
      7.5255120              0.4368320
      3.7154290             -0.6042900
      1.8064590             -0.6746050
      0.8529730              0.9387020
      0.3847800              0.2779680
Zn    D
      9.2094                 1.0
Zn    D
      5.2262                 1.0
Zn    D
      0.1593370              1.0000000
Zn    D
      0.0659800              1.0000000
Zn    F
     13.2355                 1.0
Zn    F
      5.6706                 1.0
Zn    F
      2.4295                 1.0
Zn    F
      0.8530000              1.0000000
Zn    F
      0.2994900              1.0000000
Zn    G
     10.7902                 1.0
Zn    G
      4.9368                 1.0
Zn    G
      2.0693000              1.0000000
Zn    G
      0.8673600              1.0000000
Zn    H
      9.6086                 1.0
Zn    H
      4.4136000              1.0000000
Zn    H
      2.0273400              1.0000000
end
basis "Br_aug-cc-pwcvqz" 
#basis SET: (79s,46p,16d,6f,4g,1h) -> [11s,10p,8d,6f,4g,1h]
Br    S
16475000.0000000             0.0000034
2466600.0000000              0.0000267
 561310.0000000              0.0001404
 158990.0000000              0.0005927
  51869.0000000              0.0021561
  18726.0000000              0.0069959
   7303.6000000              0.0205645
   3029.1000000              0.0545893
   1320.8000000              0.1275226
    600.0300000              0.2459780
    281.9000000              0.3436508
    135.5400000              0.2702530
     64.8700000              0.0744795
     32.1290000              0.0008787
     16.0370000              0.0015755
      7.7849000             -0.0007602
      3.7247000              0.0003211
      1.7583000             -0.0001586
Br    S
16475000.0000000            -0.0000011
2466600.0000000             -0.0000084
 561310.0000000             -0.0000441
 158990.0000000             -0.0001862
  51869.0000000             -0.0006783
  18726.0000000             -0.0022122
   7303.6000000             -0.0065752
   3029.1000000             -0.0179328
   1320.8000000             -0.0443321
    600.0300000             -0.0963478
    281.9000000             -0.1696814
    135.5400000             -0.1920769
     64.8700000              0.0208731
     32.1290000              0.4744996
     16.0370000              0.5214907
      7.7849000              0.1348001
      3.7247000              0.0036614
      1.7583000              0.0018840
Br    S
16475000.0000000             0.0000004
2466600.0000000              0.0000033
 561310.0000000              0.0000175
 158990.0000000              0.0000740
  51869.0000000              0.0002697
  18726.0000000              0.0008799
   7303.6000000              0.0026198
   3029.1000000              0.0071671
   1320.8000000              0.0178561
    600.0300000              0.0393960
    281.9000000              0.0717102
    135.5400000              0.0858877
     64.8700000             -0.0103861
     32.1290000             -0.3040135
     16.0370000             -0.4933178
      7.7849000              0.0160890
      3.7247000              0.7146686
      1.7583000              0.4904795
Br    S
16475000.0000000            -0.0000001
2466600.0000000             -0.0000010
 561310.0000000             -0.0000054
 158990.0000000             -0.0000227
  51869.0000000             -0.0000827
  18726.0000000             -0.0002694
   7303.6000000             -0.0008042
   3029.1000000             -0.0021949
   1320.8000000             -0.0054939
    600.0300000             -0.0120960
    281.9000000             -0.0222623
    135.5400000             -0.0266063
     64.8700000              0.0027580
     32.1290000              0.1016803
     16.0370000              0.1704132
      7.7849000             -0.0062220
      3.7247000             -0.3452570
      1.7583000             -0.4234840
Br    S
     27.605                  1.000000
Br    S
     13.563                  1.000000
Br    S
      6.6640                 1.000000
Br    S
      0.5833100              1.0000000
Br    S
      0.2785600              1.0000000
Br    S
      0.1182900              1.0000000
Br    S
      0.0442700              1.0000000
Br    P
  26607.0000000              0.0000619
   6298.2000000              0.0005499
   2045.2000000              0.0031620
    782.1600000              0.0137979
    331.6300000              0.0479812
    151.1100000              0.1315710
     72.3920000              0.2685861
     35.8620000              0.3683473
     18.1340000              0.2711363
      9.0430000              0.0762222
      4.4500000              0.0046749
      2.1661000              0.0012565
      0.9962800             -0.0002357
Br    P
  26607.0000000             -0.0000248
   6298.2000000             -0.0002212
   2045.2000000             -0.0012736
    782.1600000             -0.0056179
    331.6300000             -0.0198600
    151.1100000             -0.0565531
     72.3920000             -0.1209479
     35.8620000             -0.1773098
     18.1340000             -0.0921472
      9.0430000              0.2187683
      4.4500000              0.4854670
      2.1661000              0.3721970
      0.9962800              0.0776907
Br    P
  26607.0000000              0.0000064
   6298.2000000              0.0000572
   2045.2000000              0.0003297
    782.1600000              0.0014562
    331.6300000              0.0051591
    151.1100000              0.0147617
     72.3920000              0.0317694
     35.8620000              0.0470680
     18.1340000              0.0223871
      9.0430000             -0.0720254
      4.4500000             -0.1626429
      2.1661000             -0.1496503
      0.9962800              0.1064517
Br    P
     23.928                  1.000000
Br    P
     11.068                  1.000000
Br    P
      5.1200                 1.000000
Br    P
      0.4544300              1.0000000
Br    P
      0.1940400              1.0000000
Br    P
      0.0789970              1.0000000
Br    P
      0.0305130              1.0000000
Br    D
   1289.6000000              0.0001190
    389.7500000              0.0011551
    151.7600000              0.0067648
     67.2230000              0.0273017
     31.9130000              0.0809298
     15.8570000              0.1794011
      8.0545000              0.2840086
      4.0887000              0.3266797
      2.0556000              0.2584900
Br    D
     10.065                  1.000000
Br    D
      4.8040                 1.000000
Br    D
      2.2930                 1.000000
Br    D
      0.9950900              1.0000000
Br    D
      0.4231300              1.0000000
Br    D
      0.1779000              1.0000000
Br    D
      0.0829000              1.0000000
Br    F
     13.241                  1.000000
Br    F
      5.2890                 1.000000
Br    F
      2.1130                 1.000000
Br    F
      0.8257000              1.0000000
Br    F
      0.3407000              1.0000000
Br    F
      0.1748000              1.0000000
Br    G
      9.2410                 1.000000
Br    G
      2.3320                 1.000000
Br    G
      0.6491000              1.0000000
Br    G
      0.3110000              1.0000000
Br    H
      2.5630                 1.000000
end
