# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# aug-cc-pwCVTZ version number 0
# Description: TZ2P    Triple 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:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  B-Ne
#      cc-pVTZ
#          dunning1989a
# 
#      aug-cc-pVTZ Diffuse
#          kendall1992a
# 
#      2T      Tight Functions
#          peterson2002a
# 
#  Al-Ar
#      cc-pVTZ
#          woon1993a
# 
#      cc-pVTZ
#          woon1993a
# 
#      aug-cc-pVTZ Diffuse
#          woon1993a
# 
#      2T      Tight Functions
#          peterson2002a
# 
#  Sc-Zn
#      cc-pVTZ
#          balabanov2005a
# 
#      TZ2P    All-electron non-relativistic Core-Valence Triple Zeta + Polarization
#          balabanov2005a
# 
#      aug-cc-pVTZ Diffuse
#          balabanov2005a
# 
# 
# 
# balabanov2005a
#     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
# 
# dunning1989a
#     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
# 
# kendall1992a
#     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
# 
# peterson2002a
#     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
# 
# woon1993a
#     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
# 
# # 
basis "B_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (21s,8p,4d,2f) -> [7s,6p,4d,2f]
B    S
      6.430000               1.000000
B    S
   5473.0000000              0.0005550
    820.9000000              0.0042910
    186.8000000              0.0219490
     52.8300000              0.0844410
     17.0800000              0.2385570
      5.9990000              0.4350720
      2.2080000              0.3419550
      0.2415000             -0.0095450
B    S
      2.454000               1.000000
B    S
      0.5879000              1.0000000
B    S
   5473.0000000             -0.0001120
    820.9000000             -0.0008680
    186.8000000             -0.0044840
     52.8300000             -0.0176830
     17.0800000             -0.0536390
      5.9990000             -0.1190050
      2.2080000             -0.1658240
      0.2415000              0.5959810
B    S
      0.0861000              1.0000000
B    S
      0.0291400              1.0000000
B    P
     14.37200                1.000000
B    P
      3.498000               1.000000
B    P
     12.0500000              0.0131180
      2.6130000              0.0798960
      0.7475000              0.2772750
B    P
      0.2385000              1.0000000
B    P
      0.0769800              1.0000000
B    P
      0.0209600              1.0000000
B    D
      3.029000               1.000000
B    D
      0.6610000              1.0000000
B    D
      0.1990000              1.0000000
B    D
      0.0604000              1.0000000
B    F
      0.4900000              1.0000000
B    F
      0.1630000              1.0000000
end
basis "C_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (21s,8p,4d,2f) -> [7s,6p,4d,2f]
C    S
      8.828000               1.000000
C    S
   8236.0000000              0.0005310
   1235.0000000              0.0041080
    280.8000000              0.0210870
     79.2700000              0.0818530
     25.5900000              0.2348170
      8.9970000              0.4344010
      3.3190000              0.3461290
      0.3643000             -0.0089830
C    S
      3.474000               1.000000
C    S
      0.9059000              1.0000000
C    S
   8236.0000000             -0.0001130
   1235.0000000             -0.0008780
    280.8000000             -0.0045400
     79.2700000             -0.0181330
     25.5900000             -0.0557600
      8.9970000             -0.1268950
      3.3190000             -0.1703520
      0.3643000              0.5986840
C    S
      0.1285000              1.0000000
C    S
      0.0440200              1.0000000
C    P
     21.55200                1.000000
C    P
      5.442000               1.000000
C    P
     18.7100000              0.0140310
      4.1330000              0.0868660
      1.2000000              0.2902160
C    P
      0.3827000              1.0000000
C    P
      0.1209000              1.0000000
C    P
      0.0356900              1.0000000
C    D
      4.950000               1.000000
C    D
      1.0970000              1.0000000
C    D
      0.3180000              1.0000000
C    D
      0.1000000              1.0000000
C    F
      0.7610000              1.0000000
C    F
      0.2680000              1.0000000
end
basis "N_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (21s,8p,4d,2f) -> [7s,6p,4d,2f]
N    S
     11.80700                1.000000
N    S
  11420.0000000              0.0005230
   1712.0000000              0.0040450
    389.3000000              0.0207750
    110.0000000              0.0807270
     35.5700000              0.2330740
     12.5400000              0.4335010
      4.6440000              0.3474720
      0.5118000             -0.0085080
N    S
      4.733000               1.000000
N    S
      1.2930000              1.0000000
N    S
  11420.0000000             -0.0001150
   1712.0000000             -0.0008950
    389.3000000             -0.0046240
    110.0000000             -0.0185280
     35.5700000             -0.0573390
     12.5400000             -0.1320760
      4.6440000             -0.1725100
      0.5118000              0.5999440
N    S
      0.1787000              1.0000000
N    S
      0.0576000              1.0000000
N    P
     29.81800                1.000000
N    P
      7.743000               1.000000
N    P
     26.6300000              0.0146700
      5.9480000              0.0917640
      1.7420000              0.2986830
N    P
      0.5550000              1.0000000
N    P
      0.1725000              1.0000000
N    P
      0.0491000              1.0000000
N    D
      7.352000               1.000000
N    D
      1.6540000              1.0000000
N    D
      0.4690000              1.0000000
N    D
      0.1510000              1.0000000
N    F
      1.0930000              1.0000000
N    F
      0.3640000              1.0000000
end
basis "O_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (21s,8p,4d,2f) -> [7s,6p,4d,2f]
O    S
     15.38100                1.000000
O    S
  15330.0000000              0.0005080
   2299.0000000              0.0039290
    522.4000000              0.0202430
    147.3000000              0.0791810
     47.5500000              0.2306870
     16.7600000              0.4331180
      6.2070000              0.3502600
      0.6882000             -0.0081540
O    S
      6.245000               1.000000
O    S
      1.7520000              1.0000000
O    S
  15330.0000000             -0.0001150
   2299.0000000             -0.0008950
    522.4000000             -0.0046360
    147.3000000             -0.0187240
     47.5500000             -0.0584630
     16.7600000             -0.1364630
      6.2070000             -0.1757400
      0.6882000              0.6034180
O    S
      0.2384000              1.0000000
O    S
      0.0737600              1.0000000
O    P
     38.48400                1.000000
O    P
     10.21600                1.000000
O    P
     34.4600000              0.0159280
      7.7490000              0.0997400
      2.2800000              0.3104920
O    P
      0.7156000              1.0000000
O    P
      0.2140000              1.0000000
O    P
      0.0597400              1.0000000
O    D
     10.23800                1.000000
O    D
      2.3140000              1.0000000
O    D
      0.6450000              1.0000000
O    D
      0.2140000              1.0000000
O    F
      1.4280000              1.0000000
O    F
      0.5000000              1.0000000
end
basis "F_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (21s,8p,4d,2f) -> [7s,6p,4d,2f]
F    S
  19500.0000000              0.0005070
   2923.0000000              0.0039230
    664.5000000              0.0202000
    187.5000000              0.0790100
     60.6200000              0.2304390
     21.4200000              0.4328720
      7.9500000              0.3499640
      0.8815000             -0.0078920
F    S
     19.36400                1.000000
F    S
      7.940000               1.000000
F    S
      2.2570000              1.0000000
F    S
  19500.0000000             -0.0001170
   2923.0000000             -0.0009120
    664.5000000             -0.0047170
    187.5000000             -0.0190860
     60.6200000             -0.0596550
     21.4200000             -0.1400100
      7.9500000             -0.1767820
      0.8815000              0.6050430
F    S
      0.3041000              1.0000000
F    S
      0.0915800              1.0000000
F    P
     48.32500                1.000000
F    P
     13.06900                1.000000
F    P
     43.8800000              0.0166650
      9.9260000              0.1044720
      2.9300000              0.3172600
F    P
      0.9132000              1.0000000
F    P
      0.2672000              1.0000000
F    P
      0.0736100              1.0000000
F    D
     13.64400                1.000000
F    D
      3.1070000              1.0000000
F    D
      0.8550000              1.0000000
F    D
      0.2920000              1.0000000
F    F
      1.9170000              1.0000000
F    F
      0.7240000              1.0000000
end
basis "Ne_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (21s,8p,4d,2f) -> [7s,6p,4d,2f]
Ne    S
  24350.0000000              0.0005020
   3650.0000000              0.0038810
    829.6000000              0.0199970
    234.0000000              0.0784180
     75.6100000              0.2296760
     26.7300000              0.4327220
      9.9270000              0.3506420
      1.1020000             -0.0076450
Ne    S
     23.82900                1.000000
Ne    S
      9.883000               1.000000
Ne    S
      2.8360000              1.0000000
Ne    S
  24350.0000000             -0.0001180
   3650.0000000             -0.0009150
    829.6000000             -0.0047370
    234.0000000             -0.0192330
     75.6100000             -0.0603690
     26.7300000             -0.1425080
      9.9270000             -0.1777100
      1.1020000              0.6058360
Ne    S
      0.3782000              1.0000000
Ne    S
      0.1133000              1.0000000
Ne    P
     59.24200                1.000000
Ne    P
     16.27500                1.000000
Ne    P
     54.7000000              0.0171510
     12.4300000              0.1076560
      3.6790000              0.3216810
Ne    P
      1.1430000              1.0000000
Ne    P
      0.3300000              1.0000000
Ne    P
      0.0917500              1.0000000
Ne    D
     17.52800                1.000000
Ne    D
      4.0140000              1.0000000
Ne    D
      1.0960000              1.0000000
Ne    D
      0.3860000              1.0000000
Ne    F
      2.5440000              1.0000000
Ne    F
      1.0840000              1.0000000
end
basis "Al_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (44s,19p,5d,3f) -> [8s,7p,5d,3f]
Al    S
 205500.0000000              0.678836E-04
  30780.0000000              0.527149E-03
   7006.0000000              0.276203E-02
   1985.0000000              0.114728E-01
    649.1000000              0.398188E-01
    235.0000000              0.115040E+00
     91.6200000              0.260887E+00
     37.6700000              0.396386E+00
     15.9100000              0.284597E+00
      5.8500000              0.444583E-01
      2.5420000             -0.489838E-02
      1.0570000              0.261253E-02
      0.1455000              0.722068E-03
Al    S
      6.562000               1.000000
Al    S
 205500.0000000             -0.176377E-04
  30780.0000000             -0.137195E-03
   7006.0000000             -0.718910E-03
   1985.0000000             -0.301146E-02
    649.1000000             -0.106014E-01
    235.0000000             -0.321345E-01
     91.6200000             -0.803156E-01
     37.6700000             -0.156794E+00
     15.9100000             -0.168376E+00
      5.8500000              0.126879E+00
      2.5420000              0.561494E+00
      1.0570000              0.436613E+00
      0.1455000             -0.114563E-01
Al    S
      0.995000               1.000000
Al    S
      0.2931000              1.0000000
Al    S
 205500.0000000              0.407315E-05
  30780.0000000              0.316566E-04
   7006.0000000              0.166116E-03
   1985.0000000              0.694992E-03
    649.1000000              0.245511E-02
    235.0000000              0.744598E-02
     91.6200000              0.188253E-01
     37.6700000              0.372772E-01
     15.9100000              0.419496E-01
      5.8500000             -0.354375E-01
      2.5420000             -0.175132E+00
      1.0570000             -0.276203E+00
      0.1455000              0.652809E+00
Al    S
      0.0565000              1.0000000
Al    S
      0.0221000              1.0000000
Al    P
      4.871000               1.000000
Al    P
    444.4000000              0.162786E-02
    105.1000000              0.130687E-01
     33.4700000              0.612341E-01
     12.3300000              0.187870E+00
      4.8690000              0.360452E+00
      1.9610000              0.408454E+00
      0.1888000              0.976514E-02
Al    P
      1.811000               1.000000
Al    P
      0.7834000              1.0000000
Al    P
    444.4000000             -0.286341E-03
    105.1000000             -0.242308E-02
     33.4700000             -0.108658E-01
     12.3300000             -0.364307E-01
      4.8690000             -0.641074E-01
      1.9610000             -0.972239E-01
      0.1888000              0.503448E+00
Al    P
      0.0555700              1.0000000
Al    P
      0.0146000              1.0000000
Al    D
      5.487000               1.000000
Al    D
      1.358000               1.000000
Al    D
      0.3330000              1.0000000
Al    D
      0.1090000              1.0000000
Al    D
      0.0356000              1.0000000
Al    F
      1.470000               1.000000
Al    F
      0.2440000              1.0000000
Al    F
      0.0858000              1.0000000
end
basis "Si_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (44s,19p,5d,3f) -> [8s,7p,5d,3f]
Si    S
 254900.0000000              0.625101E-04
  38190.0000000              0.485553E-03
   8690.0000000              0.254516E-02
   2462.0000000              0.105866E-01
    804.8000000              0.368787E-01
    291.3000000              0.107479E+00
    113.6000000              0.247936E+00
     46.7500000              0.390927E+00
     19.8200000              0.302026E+00
      7.7080000              0.559236E-01
      3.3400000             -0.402406E-02
      1.4020000              0.258030E-02
      0.2070000              0.607930E-03
Si    S
      8.252000               1.000000
Si    S
 254900.0000000             -0.166370E-04
  38190.0000000             -0.129310E-03
   8690.0000000             -0.678828E-03
   2462.0000000             -0.284117E-02
    804.8000000             -0.100551E-01
    291.3000000             -0.305774E-01
    113.6000000             -0.777256E-01
     46.7500000             -0.154236E+00
     19.8200000             -0.180368E+00
      7.7080000              0.798218E-01
      3.3400000              0.547441E+00
      1.4020000              0.480119E+00
      0.2070000             -0.106996E-01
Si    S
      1.336000               1.000000
Si    S
      0.4387000              1.0000000
Si    S
 254900.0000000              0.426257E-05
  38190.0000000              0.331062E-04
   8690.0000000              0.174015E-03
   2462.0000000              0.727574E-03
    804.8000000              0.258333E-02
    291.3000000              0.786354E-02
    113.6000000              0.202155E-01
     46.7500000              0.407320E-01
     19.8200000              0.499358E-01
      7.7080000             -0.249396E-01
      3.3400000             -0.190350E+00
      1.4020000             -0.318350E+00
      0.2070000              0.681180E+00
Si    S
      0.0794400              1.0000000
Si    S
      0.0330000              1.0000000
Si    P
      5.936000               1.000000
Si    P
    481.5000000              0.192045E-02
    113.9000000              0.153552E-01
     36.2300000              0.713991E-01
     13.3400000              0.213052E+00
      5.2520000              0.390354E+00
      2.1200000              0.393721E+00
      0.2528000              0.395630E-02
Si    P
      2.311000               1.000000
Si    P
      0.8561000              1.0000000
Si    P
    481.5000000             -0.405220E-03
    113.9000000             -0.335896E-02
     36.2300000             -0.152860E-01
     13.3400000             -0.489218E-01
      5.2520000             -0.855008E-01
      2.1200000             -0.112137E+00
      0.2528000              0.551919E+00
Si    P
      0.0788900              1.0000000
Si    P
      0.0237000              1.0000000
Si    D
      7.203000               1.000000
Si    D
      1.814000               1.000000
Si    D
      0.4810000              1.0000000
Si    D
      0.1590000              1.0000000
Si    D
      0.0556000              1.0000000
Si    F
      1.763000               1.000000
Si    F
      0.3360000              1.0000000
Si    F
      0.1250000              1.0000000
end
basis "P_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (44s,19p,5d,3f) -> [8s,7p,5d,3f]
P    S
 312400.0000000              0.576960E-04
  46800.0000000              0.448296E-03
  10650.0000000              0.234939E-02
   3018.0000000              0.978265E-02
    986.8000000              0.341467E-01
    357.4000000              0.100204E+00
    139.6000000              0.234372E+00
     57.6300000              0.382434E+00
     24.6000000              0.318088E+00
     10.1200000              0.707788E-01
      4.2830000             -0.181799E-02
      1.8050000              0.216180E-02
      0.2782000              0.432297E-03
P    S
     10.06900                1.000000
P    S
 312400.0000000             -0.156709E-04
  46800.0000000             -0.121724E-03
  10650.0000000             -0.639672E-03
   3018.0000000             -0.267426E-02
    986.8000000             -0.949831E-02
    357.4000000             -0.289349E-01
    139.6000000             -0.745121E-01
     57.6300000             -0.149938E+00
     24.6000000             -0.189467E+00
     10.1200000              0.363270E-01
      4.2830000              0.528816E+00
      1.8050000              0.519115E+00
      0.2782000             -0.925695E-02
P    S
      1.730000               1.000000
P    S
      0.6158000              1.0000000
P    S
 312400.0000000              0.430631E-05
  46800.0000000              0.334194E-04
  10650.0000000              0.175885E-03
   3018.0000000              0.734340E-03
    986.8000000              0.261775E-02
    357.4000000              0.797852E-02
    139.6000000              0.207940E-01
     57.6300000              0.424446E-01
     24.6000000              0.563436E-01
     10.1200000             -0.127358E-01
      4.2830000             -0.196495E+00
      1.8050000             -0.353555E+00
      0.2782000              0.700912E+00
P    S
      0.1055000              1.0000000
P    S
      0.0409000              1.0000000
P    P
      6.090000               1.000000
P    P
    504.9000000              0.233728E-02
    119.4000000              0.185410E-01
     37.9600000              0.849693E-01
     13.9500000              0.244615E+00
      5.4570000              0.422766E+00
      2.1770000              0.368439E+00
      0.2877000             -0.379005E-02
P    P
      2.401000               1.000000
P    P
      0.8010000              1.0000000
P    P
    504.9000000             -0.555236E-03
    119.4000000             -0.445913E-02
     37.9600000             -0.206350E-01
     13.9500000             -0.617694E-01
      5.4570000             -0.108924E+00
      2.1770000             -0.105599E+00
      0.2877000              0.576981E+00
P    P
      0.0971400              1.0000000
P    P
      0.0307000              1.0000000
P    D
      9.097000               1.000000
P    D
      2.328000               1.000000
P    D
      0.6520000              1.0000000
P    D
      0.2160000              1.0000000
P    D
      0.0775000              1.0000000
P    F
      2.122000               1.000000
P    F
      0.4520000              1.0000000
P    F
      0.1650000              1.0000000
end
basis "S_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (44s,19p,5d,3f) -> [8s,7p,5d,3f]
S    S
 374100.0000000              0.542140E-04
  56050.0000000              0.420855E-03
  12760.0000000              0.220698E-02
   3615.0000000              0.919258E-02
   1183.0000000              0.321123E-01
    428.8000000              0.946683E-01
    167.8000000              0.223630E+00
     69.4700000              0.374393E+00
     29.8400000              0.329108E+00
     12.7200000              0.847038E-01
      5.2440000              0.440851E-03
      2.2190000              0.164827E-02
      0.3490000              0.301306E-03
S    S
     11.92000                1.000000
S    S
 374100.0000000             -0.149837E-04
  56050.0000000             -0.116198E-03
  12760.0000000             -0.611583E-03
   3615.0000000             -0.255370E-02
   1183.0000000             -0.908708E-02
    428.8000000             -0.277045E-01
    167.8000000             -0.720020E-01
     69.4700000             -0.146439E+00
     29.8400000             -0.195150E+00
     12.7200000              0.819193E-02
      5.2440000              0.516601E+00
      2.2190000              0.542178E+00
      0.3490000             -0.918072E-02
S    S
      2.120000               1.000000
S    S
      0.7767000              1.0000000
S    S
 374100.0000000              0.435066E-05
  56050.0000000              0.337140E-04
  12760.0000000              0.177674E-03
   3615.0000000              0.741116E-03
   1183.0000000              0.264591E-02
    428.8000000              0.807487E-02
    167.8000000              0.212276E-01
     69.4700000              0.438323E-01
     29.8400000              0.612716E-01
     12.7200000             -0.361510E-02
      5.2440000             -0.204510E+00
      2.2190000             -0.381871E+00
      0.3490000              0.714147E+00
S    S
      0.1322000              1.0000000
S    S
      0.0497000              1.0000000
S    P
      6.647000               1.000000
S    P
    574.4000000              0.242264E-02
    135.8000000              0.192796E-01
     43.1900000              0.885401E-01
     15.8700000              0.254654E+00
      6.2080000              0.433984E+00
      2.4830000              0.354953E+00
      0.3229000             -0.502977E-02
S    P
      2.659000               1.000000
S    P
      0.8688000              1.0000000
S    P
    574.4000000             -0.620102E-03
    135.8000000             -0.493882E-02
     43.1900000             -0.232647E-01
     15.8700000             -0.685195E-01
      6.2080000             -0.123896E+00
      2.4830000             -0.969499E-01
      0.3229000              0.569394E+00
S    P
      0.1098000              1.0000000
S    P
      0.0351000              1.0000000
S    D
     11.07900                1.000000
S    D
      2.864000               1.000000
S    D
      0.8190000              1.0000000
S    D
      0.2690000              1.0000000
S    D
      0.1010000              1.0000000
S    F
      2.528000               1.000000
S    F
      0.5570000              1.0000000
S    F
      0.2180000              1.0000000
end
basis "Cl_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (44s,19p,5d,3f) -> [8s,7p,5d,3f]
Cl    S
 456100.0000000              0.492970E-04
  68330.0000000              0.383029E-03
  15550.0000000              0.200854E-02
   4405.0000000              0.838558E-02
   1439.0000000              0.294703E-01
    520.4000000              0.878325E-01
    203.1000000              0.211473E+00
     83.9600000              0.365364E+00
     36.2000000              0.340884E+00
     15.8300000              0.102133E+00
      6.3340000              0.311675E-02
      2.6940000              0.105751E-02
      0.4313000              0.156136E-03
Cl    S
     13.94000                1.000000
Cl    S
 456100.0000000             -0.138304E-04
  68330.0000000             -0.107279E-03
  15550.0000000             -0.565083E-03
   4405.0000000             -0.236135E-02
   1439.0000000             -0.845886E-02
    520.4000000             -0.259638E-01
    203.1000000             -0.686362E-01
     83.9600000             -0.141874E+00
     36.2000000             -0.199319E+00
     15.8300000             -0.195662E-01
      6.3340000              0.499741E+00
      2.6940000              0.563736E+00
      0.4313000             -0.835091E-02
Cl    S
      2.562000               1.000000
Cl    S
      0.9768000              1.0000000
Cl    S
 456100.0000000              0.418546E-05
  68330.0000000              0.324395E-04
  15550.0000000              0.171105E-03
   4405.0000000              0.714176E-03
   1439.0000000              0.256705E-02
    520.4000000              0.788552E-02
    203.1000000              0.210867E-01
     83.9600000              0.442264E-01
     36.2000000              0.651670E-01
     15.8300000              0.603012E-02
      6.3340000             -0.206495E+00
      2.6940000             -0.405871E+00
      0.4313000              0.725661E+00
Cl    S
      0.1625000              1.0000000
Cl    S
      0.0591000              1.0000000
Cl    P
      7.693000               1.000000
Cl    P
    663.3000000              0.240448E-02
    156.8000000              0.192148E-01
     49.9800000              0.885097E-01
     18.4200000              0.256020E+00
      7.2400000              0.436927E+00
      2.9220000              0.350334E+00
      0.3818000             -0.458423E-02
Cl    P
      3.117000               1.000000
Cl    P
      1.0220000              1.0000000
Cl    P
    663.3000000             -0.652145E-03
    156.8000000             -0.519445E-02
     49.9800000             -0.246938E-01
     18.4200000             -0.728167E-01
      7.2400000             -0.134030E+00
      2.9220000             -0.947742E-01
      0.3818000              0.564667E+00
Cl    P
      0.1301000              1.0000000
Cl    P
      0.0419000              1.0000000
Cl    D
     13.50600                1.000000
Cl    D
      3.537000               1.000000
Cl    D
      1.0460000              1.0000000
Cl    D
      0.3440000              1.0000000
Cl    D
      0.1350000              1.0000000
Cl    F
      3.014000               1.000000
Cl    F
      0.7060000              1.0000000
Cl    F
      0.3120000              1.0000000
end
basis "Ar_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (44s,19p,5d,3f) -> [8s,7p,5d,3f]
Ar    S
 545000.0000000              0.455828E-04
  81640.0000000              0.354108E-03
  18580.0000000              0.185797E-02
   5261.0000000              0.776851E-02
   1717.0000000              0.274232E-01
    619.9000000              0.823836E-01
    241.6000000              0.201230E+00
     99.7900000              0.356781E+00
     43.1500000              0.349563E+00
     19.1400000              0.118266E+00
      7.4880000              0.560190E-02
      3.2050000              0.483473E-03
      0.5204000              0.292025E-04
Ar    S
     16.12100                1.000000
Ar    S
 545000.0000000             -0.129551E-04
  81640.0000000             -0.100428E-03
  18580.0000000             -0.529583E-03
   5261.0000000             -0.221396E-02
   1717.0000000             -0.796845E-02
    619.9000000             -0.245803E-01
    241.6000000             -0.657798E-01
     99.7900000             -0.137942E+00
     43.1500000             -0.201630E+00
     19.1400000             -0.412834E-01
      7.4880000              0.484680E+00
      3.2050000              0.579224E+00
      0.5204000             -0.727553E-02
Ar    S
      3.047000               1.000000
Ar    S
      1.1960000              1.0000000
Ar    S
 545000.0000000              0.404990E-05
  81640.0000000              0.313691E-04
  18580.0000000              0.165646E-03
   5261.0000000              0.691662E-03
   1717.0000000              0.249790E-02
    619.9000000              0.771074E-02
    241.6000000              0.208714E-01
     99.7900000              0.443965E-01
     43.1500000              0.680224E-01
     19.1400000              0.141350E-01
      7.4880000             -0.207489E+00
      3.2050000             -0.425045E+00
      0.5204000              0.733627E+00
Ar    S
      0.1954000              1.0000000
Ar    S
      0.0685000              1.0000000
Ar    P
      8.927000               1.000000
Ar    P
    761.8000000              0.236976E-02
    180.2000000              0.190199E-01
     57.5000000              0.880807E-01
     21.2400000              0.256377E+00
      8.3880000              0.438711E+00
      3.4160000              0.347569E+00
      0.4523000             -0.523882E-02
Ar    P
      3.659000               1.000000
Ar    P
      1.2060000              1.0000000
Ar    P
    761.8000000             -0.667211E-03
    180.2000000             -0.532717E-02
     57.5000000             -0.255494E-01
     21.2400000             -0.757197E-01
      8.3880000             -0.141133E+00
      3.4160000             -0.932768E-01
      0.4523000              0.562450E+00
Ar    P
      0.1545000              1.0000000
Ar    P
      0.0487000              1.0000000
Ar    D
     15.86000                1.000000
Ar    D
      4.181000               1.000000
Ar    D
      1.2540000              1.0000000
Ar    D
      0.4100000              1.0000000
Ar    D
      0.1690000              1.0000000
Ar    F
      3.572000               1.000000
Ar    F
      0.8900000              1.0000000
Ar    F
      0.4060000              1.0000000
end
basis "Sc_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Sc    S
2715278.0000000              8.147221E-06
 406598.4000000              6.334788E-05
  92530.0400000              0.0003330384
  26207.9200000              0.001404055
   8549.4290000              0.005081725
   3085.9750000              0.01626926
   1203.1720000              0.04624577
    498.4869000              0.1137223
    216.7360000              0.2257636
     97.8747600              0.3106700
     45.2043300              0.2191906
     20.2118700              0.07215879
      9.5747510              0.1187030
      4.5403460              0.1220532
      1.9956870              0.02136795
      0.9422150             -0.0005357246
      0.4178450              0.0002435774
      0.0957610             -8.796617E-05
      0.0513510              7.878246E-05
Sc    S
2715278.0000000             -4.722109E-06
 406598.4000000             -3.671829E-05
  92530.0400000             -0.0001930883
  26207.9200000             -0.000814687
   8549.4290000             -0.002955526
   3085.9750000             -0.009520035
   1203.1720000             -0.02746858
    498.4869000             -0.06991528
    216.7360000             -0.1499251
     97.8747600             -0.2459153
     45.2043300             -0.2401293
     20.2118700              0.03567987
      9.5747510              0.4915023
      4.5403460              0.4911381
      1.9956870              0.09120633
      0.9422150             -0.005356723
      0.4178450              0.0008812836
      0.0957610             -0.0007605536
      0.0513510              0.0006340116
Sc    S
      2.629500               1.0
Sc    S
      0.617400               1.0
Sc    S
2715278.0000000              9.139905E-07
 406598.4000000              7.108513E-06
  92530.0400000              3.738126E-05
  26207.9200000              0.0001578828
   8549.4290000              0.0005737686
   3085.9750000              0.001859244
   1203.1720000              0.005433182
    498.4869000              0.01425387
    216.7360000              0.03246144
     97.8747600              0.06003454
     45.2043300              0.06916105
     20.2118700             -0.02113084
      9.5747510             -0.2666832
      4.5403460             -0.4367591
      1.9956870              0.06498243
      0.9422150              0.7009599
      0.4178450              0.4515562
      0.0957610              0.0301191
      0.0513510             -0.0132948
Sc    S
2715278.0000000             -3.757238E-07
 406598.4000000             -2.981907E-06
  92530.0400000             -1.522586E-05
  26207.9200000             -6.684686E-05
   8549.4290000             -0.0002313129
   3085.9750000             -0.0007959729
   1203.1720000             -0.002161961
    498.4869000             -0.006206459
    216.7360000             -0.01261905
     97.8747600             -0.02739459
     45.2043300             -0.02336516
     20.2118700             -0.005734627
      9.5747510              0.1536025
      4.5403460              0.1447100
      1.9956870              0.09359699
      0.9422150             -0.8687730
      0.4178450              0.02114597
      0.0957610              2.2754980
      0.0513510             -1.1907700
Sc    S
2715278.0000000             -2.201951E-07
 406598.4000000             -1.711419E-06
  92530.0400000             -9.008469E-06
  26207.9200000             -3.799997E-05
   8549.4290000             -0.0001383227
   3085.9750000             -0.0004473692
   1203.1720000             -0.001310691
    498.4869000             -0.00342986
    216.7360000             -0.007847579
     97.8747600             -0.01447189
     45.2043300             -0.01690669
     20.2118700              0.005396115
      9.5747510              0.06671062
      4.5403460              0.1178356
      1.9956870             -0.02738134
      0.9422150             -0.2260149
      0.4178450             -0.3073539
      0.0957610              0.2544054
      0.0513510              0.5981590
Sc    S
2715278.0000000             -5.962768E-07
 406598.4000000             -4.822853E-06
  92530.0400000             -2.395005E-05
  26207.9200000             -0.0001090335
   8549.4290000             -0.0003601944
   3085.9750000             -0.001311233
   1203.1720000             -0.003322435
    498.4869000             -0.0103752
    216.7360000             -0.01892174
     97.8747600             -0.04755287
     45.2043300             -0.02931692
     20.2118700             -0.03090088
      9.5747510              0.3074597
      4.5403460              0.1803100
      1.9956870              0.2358178
      0.9422150             -2.3885440
      0.4178450              2.3294070
      0.0957610              0.9918252
      0.0513510             -3.5072400
Sc    S
      0.0238780              1.0000000
Sc    S
      1.110000E-02           1.000000E+00
Sc    P
  10592.1900000              0.0000450
   2507.5330000              0.0004010
    814.4571000              0.0023020
    311.5195000              0.0100370
    131.9617000              0.0349540
     59.9871800              0.0979090
     28.6625000              0.2106800
     14.1085100              0.3300930
      7.1037060              0.3310270
      3.6092000              0.1579600
      1.7760700              0.0220990
      0.8547600             -0.0016050
      0.4022390             -0.0013260
      0.1546650             -0.0002800
      0.0649450              0.0000340
Sc    P
      3.435000               1.0
Sc    P
      0.807100               1.0
Sc    P
  10592.1900000             -0.0000150
   2507.5330000             -0.0001310
    814.4571000             -0.0007570
    311.5195000             -0.0033180
    131.9617000             -0.0117060
     59.9871800             -0.0336040
     28.6625000             -0.0748790
     14.1085100             -0.1225480
      7.1037060             -0.1302760
      3.6092000              0.0145960
      1.7760700              0.3091840
      0.8547600              0.4629980
      0.4022390              0.3049570
      0.1546650              0.0508780
      0.0649450             -0.0044930
Sc    P
  10592.1900000              0.0000090
   2507.5330000              0.0000740
    814.4571000              0.0004790
    311.5195000              0.0018690
    131.9617000              0.0074240
     59.9871800              0.0187630
     28.6625000              0.0487170
     14.1085100              0.0654400
      7.1037060              0.1079480
      3.6092000             -0.0587130
      1.7760700             -0.1703060
      0.8547600             -0.7549770
      0.4022390              0.6201170
      0.1546650              1.1675480
      0.0649450             -1.0095310
Sc    P
  10592.1900000              0.0000040
   2507.5330000              0.0000390
    814.4571000              0.0002210
    311.5195000              0.0009840
    131.9617000              0.0034230
     59.9871800              0.0099930
     28.6625000              0.0219160
     14.1085100              0.0370080
      7.1037060              0.0377940
      3.6092000             -0.0043790
      1.7760700             -0.1101640
      0.8547600             -0.1610170
      0.4022390             -0.1824820
      0.1546650              0.3886110
      0.0649450              0.6911000
Sc    P
  10592.1900000             -0.0000040
   2507.5330000             -0.0000320
    814.4571000             -0.0001850
    311.5195000             -0.0008080
    131.9617000             -0.0028700
     59.9871800             -0.0082070
     28.6625000             -0.0184730
     14.1085100             -0.0301010
      7.1037060             -0.0329430
      3.6092000              0.0079580
      1.7760700              0.0879930
      0.8547600              0.1523770
      0.4022390              0.0971700
      0.1546650             -0.2569380
      0.0649450             -0.5878150
Sc    P
      0.0263590              1.0000000
Sc    P
      1.066000E-02           1.000000E+00
Sc    D
      1.8543                 1.0
Sc    D
      0.7921                 1.0
Sc    D
     50.5138000              0.0042660
     14.7405000              0.0277080
      5.1950000              0.1000010
      2.0284600              0.2315810
      0.8040860              0.3460330
      0.3076890              0.3733740
      0.1113920              0.2642880
Sc    D
     50.5138000              0.0058590
     14.7405000              0.0373230
      5.1950000              0.1419240
      2.0284600              0.3068960
      0.8040860              0.3081890
      0.3076890             -0.7607170
      0.1113920             -0.2047750
Sc    D
     50.5138000             -0.0043890
     14.7405000             -0.0283630
      5.1950000             -0.1051370
      2.0284600             -0.2348540
      0.8040860             -0.3246090
      0.3076890             -0.0642890
      0.1113920              0.6017490
Sc    D
      0.0373520              1.0000000
Sc    D
      1.244000E-02           1.000000E+00
Sc    F
      2.1138                 1.0
Sc    F
      0.6649                 1.0
Sc    F
      0.1665000              1.0000000
Sc    F
      4.063000E-02           1.000000E+00
Sc    G
      1.7981                 1.0
Sc    G
      0.4187000              1.0000000
Sc    G
      9.473000E-02           1.000000E+00
end
basis "Ti_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Ti    S
3014643.0000000              8.060782E-06
 451432.9000000              6.267518E-05
 102733.8000000              0.0003295006
  29098.1700000              0.001389203
   9492.3300000              0.005028469
   3426.3460000              0.01610419
   1335.8960000              0.04581232
    553.5026000              0.1128613
    240.6925000              0.2248193
    108.7293000              0.3114571
     50.2645700              0.2224995
     22.5800400              0.07293128
     10.7143200              0.1160683
      5.0935460              0.1194774
      2.2441830              0.02097868
      1.0595700             -0.0005091715
      0.4688490              0.0002217859
      0.1061430             -7.636896E-05
      0.0552620              7.719539E-05
Ti    S
3014643.0000000             -4.630486E-06
 451432.9000000             -3.600451E-05
 102733.8000000             -0.000189342
  29098.1700000             -0.0007988781
   9492.3300000             -0.002898698
   3426.3460000             -0.009339701
   1335.8960000             -0.02697464
    553.5026000             -0.06878913
    240.6925000             -0.1481037
    108.7293000             -0.2445253
     50.2645700             -0.2419916
     22.5800400              0.0318379
     10.7143200              0.4932686
      5.0935460              0.4939655
      2.2441830              0.09196313
      1.0595700             -0.005316992
      0.4688490              0.0008085624
      0.1061430             -0.0006918459
      0.0552620              0.0006086512
Ti    S
      2.9409                 1.0
Ti    S
      0.7072                 1.0
Ti    S
3014643.0000000              9.230559E-07
 451432.9000000              7.178974E-06
 102733.8000000              3.775134E-05
  29098.1700000              0.0001594532
   9492.3300000              0.000579515
   3426.3460000              0.001878414
   1335.8960000              0.005492747
    553.5026000              0.01443297
    240.6925000              0.03296408
    108.7293000              0.06125493
     50.2645700              0.07134113
     22.5800400             -0.0197315
     10.7143200             -0.2741869
      5.0935460             -0.4440977
      2.2441830              0.07776084
      1.0595700              0.7068444
      0.4688490              0.4413892
      0.1061430              0.02799769
      0.0552620             -0.0121079
Ti    S
3014643.0000000             -3.975126E-07
 451432.9000000             -3.16108E-06
 102733.8000000             -1.609375E-05
  29098.1700000             -7.092947E-05
   9492.3300000             -0.000244271
   3426.3460000             -0.0008457892
   1335.8960000             -0.002282208
    553.5026000             -0.006619873
    240.6925000             -0.01335024
    108.7293000             -0.0295583
     50.2645700             -0.02477039
     22.5800400             -0.008414624
     10.7143200              0.1693855
      5.0935460              0.1500787
      2.2441830              0.09787777
      1.0595700             -0.9653608
      0.4688490              0.1489721
      0.1061430              2.1911790
      0.0552620             -1.2433250
Ti    S
3014643.0000000             -2.180323E-07
 451432.9000000             -1.69486E-06
 102733.8000000             -8.919208E-06
  29098.1700000             -3.763633E-05
   9492.3300000             -0.0001369575
   3426.3460000             -0.0004432894
   1335.8960000             -0.001298868
    553.5026000             -0.003406752
    240.6925000             -0.007810829
    108.7293000             -0.01449245
     50.2645700             -0.01708136
     22.5800400              0.004897666
     10.7143200              0.06753108
      5.0935460              0.1173318
      2.2441830             -0.02985025
      1.0595700             -0.2277634
      0.4688490             -0.2928115
      0.1061430              0.2665300
      0.0552620              0.5912406
Ti    S
3014643.0000000             -6.302483E-07
 451432.9000000             -5.084585E-06
 102733.8000000             -2.534482E-05
  29098.1700000             -0.000114826
   9492.3300000             -0.0003817497
   3426.3460000             -0.001379645
   1335.8960000             -0.003531666
    553.5026000             -0.01092225
    240.6925000             -0.02029554
    108.7293000             -0.05024404
     50.2645700             -0.03316309
     22.5800400             -0.03098063
     10.7143200              0.3244673
      5.0935460              0.2155689
      2.2441830              0.1499616
      1.0595700             -2.4207410
      0.4688490              2.5308740
      0.1061430              0.3423600
      0.0552620             -2.7337220
Ti    S
      0.0254650              1.0000000
Ti    S
      0.0117300              1.0000000
Ti    P
  11912.0300000              0.0000440
   2819.9470000              0.0003910
    915.9479000              0.0022480
    350.3842000              0.0098230
    148.4825000              0.0343380
     67.5394400              0.0966660
     32.3033200              0.2094170
     15.9278600              0.3301890
      8.0380350              0.3319360
      4.0939160              0.1584880
      2.0223900              0.0223100
      0.9761020             -0.0015660
      0.4595950             -0.0013240
      0.1771520             -0.0002710
      0.0735170              0.0000320
Ti    P
      4.0136                 1.0
Ti    P
      0.9399                 1.0
Ti    P
  11912.0300000             -0.0000150
   2819.9470000             -0.0001310
    915.9479000             -0.0007550
    350.3842000             -0.0033190
    148.4825000             -0.0117500
     67.5394400             -0.0339220
     32.3033200             -0.0761640
     15.9278600             -0.1257020
      8.0380350             -0.1330980
      4.0939160              0.0174060
      2.0223900              0.3151650
      0.9761020              0.4618140
      0.4595950              0.2998560
      0.1771520              0.0500000
      0.0735170             -0.0042300
Ti    P
  11912.0300000              0.0000090
   2819.9470000              0.0000730
    915.9479000              0.0004680
    350.3842000              0.0018560
    148.4825000              0.0072930
     67.5394400              0.0188560
     32.3033200              0.0484050
     15.9278600              0.0673780
      8.0380350              0.1045410
      4.0939160             -0.0537600
      2.0223900             -0.1917490
      0.9761020             -0.6947200
      0.4595950              0.5601620
      0.1771520              1.1813360
      0.0735170             -0.9932720
Ti    P
  11912.0300000              0.0000040
   2819.9470000              0.0000390
    915.9479000              0.0002230
    350.3842000              0.0009920
    148.4825000              0.0034760
     67.5394400              0.0101720
     32.3033200              0.0225760
     15.9278600              0.0382380
      8.0380350              0.0393370
      4.0939160             -0.0061060
      2.0223900             -0.1129620
      0.9761020             -0.1681140
      0.4595950             -0.1659320
      0.1771520              0.3914030
      0.0735170              0.6818400
Ti    P
  11912.0300000              0.0000040
   2819.9470000              0.0000310
    915.9479000              0.0001820
    350.3842000              0.0007950
    148.4825000              0.0028330
     67.5394400              0.0081540
     32.3033200              0.0184720
     15.9278600              0.0304000
      8.0380350              0.0330470
      4.0939160             -0.0082510
      2.0223900             -0.0885540
      0.9761020             -0.1496120
      0.4595950             -0.0942270
      0.1771520              0.2508460
      0.0735170              0.5866430
Ti    P
      0.0294010              1.0000000
Ti    P
      0.0117600              1.0000000
Ti    D
      2.3844                 1.0
Ti    D
      1.0825                 1.0
Ti    D
     64.0130000              0.0038870
     18.8179000              0.0263990
      6.7287000              0.0975110
      2.6641300              0.2328480
      1.0786800              0.3531520
      0.4232090              0.3721860
      0.1559990              0.2476720
Ti    D
     64.0130000              0.0064180
     18.8179000              0.0438090
      6.7287000              0.1723250
      2.6641300              0.3753320
      1.0786800              0.2249470
      0.4232090             -0.7919070
      0.1559990             -0.1044280
Ti    D
     64.0130000             -0.0039700
     18.8179000             -0.0268730
      6.7287000             -0.1022750
      2.6641300             -0.2377280
      1.0786800             -0.3121140
      0.4232090             -0.0423780
      0.1559990              0.5886580
Ti    D
      0.0518840              1.0000000
Ti    D
      0.0172600              1.0000000
Ti    F
      2.8524                 1.0
Ti    F
      0.9730                 1.0
Ti    F
      0.2836000              1.0000000
Ti    F
      0.0826600              1.0000000
Ti    G
      2.4861                 1.0
Ti    G
      0.7251000              1.0000000
Ti    G
      0.2114800              1.0000000
end
basis "V_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
V    S
3321857.0000000              8.039999E-06
 497435.6000000              6.251402E-05
 113202.7000000              0.0003286553
  32063.3300000              0.001385697
  10459.6200000              0.005016217
   3775.5060000              0.01606931
   1472.0400000              0.04574242
    609.9331000              0.1128544
    265.2634000              0.2254344
    119.8607000              0.3140461
     55.4489100              0.2267819
     24.9837200              0.07334069
     11.8805600              0.1102474
      5.6603110              0.1131358
      2.4957030              0.01971295
      1.1778660             -0.0004719088
      0.5200440              0.0001861606
      0.1159650             -6.208598E-05
      0.0589380              7.295314E-05
V    S
3321857.0000000             -4.503003E-06
 497435.6000000             -3.501295E-05
 113202.7000000             -0.0001841339
  32063.3300000             -0.0007769216
  10459.6200000             -0.002819505
   3775.5060000             -0.009087486
   1472.0400000             -0.02627134
    609.9331000             -0.06712726
    265.2634000             -0.1451130
    119.8607000             -0.2412483
     55.4489100             -0.2416314
     24.9837200              0.03067362
     11.8805600              0.4970415
      5.6603110              0.4958875
      2.4957030              0.09181868
      1.1778660             -0.005392514
      0.5200440              0.000710238
      0.1159650             -0.0006363128
      0.0589380              0.0005979932
V    S
      3.2861                 1.0
V    S
      0.8209                 1.0
V    S
3321857.0000000              9.320648E-07
 497435.6000000              7.249306E-06
 113202.7000000              3.811967E-05
  32063.3300000              0.0001610238
  10459.6200000              0.000585221
   3775.5060000              0.001897502
   1472.0400000              0.005550909
    609.9331000              0.01460584
    265.2634000              0.03342974
    119.8607000              0.06235722
     55.4489100              0.07312435
     24.9837200             -0.01911472
     11.8805600             -0.2817249
      5.6603110             -0.4488151
      2.4957030              0.09202696
      1.1778660              0.7110117
      0.5200440              0.4309274
      0.1159650              0.02604589
      0.0589380             -0.01101049
V    S
3321857.0000000             -4.093416E-07
 497435.6000000             -3.258956E-06
 113202.7000000             -1.65639E-05
  32063.3300000             -7.316689E-05
  10459.6200000             -0.0002512784
   3775.5060000             -0.0008732657
   1472.0400000             -0.002347654
    609.9331000             -0.00685315
    265.2634000             -0.0137642
    119.8607000             -0.03084679
     55.4489100             -0.02562208
     24.9837200             -0.01005123
     11.8805600              0.1795330
      5.6603110              0.1522400
      2.4957030              0.09483887
      1.1778660             -1.0148760
      0.5200440              0.2308810
      0.1159650              2.1133210
      0.0589380             -1.2530480
V    S
3321857.0000000             -2.158944E-07
 497435.6000000             -1.678519E-06
 113202.7000000             -8.831213E-06
  32063.3300000             -3.727769E-05
  10459.6200000             -0.0001356099
   3775.5060000             -0.0004392351
   1472.0400000             -0.001286948
    609.9331000             -0.003382149
    265.2634000             -0.007765646
    119.8607000             -0.01447985
     55.4489100             -0.01715502
     24.9837200              0.004610101
     11.8805600              0.06827831
      5.6603110              0.1161368
      2.4957030             -0.03277049
      1.1778660             -0.2280000
      0.5200440             -0.2793991
      0.1159650              0.2771165
      0.0589380              0.5852999
V    S
3321857.0000000             -6.539963E-07
 497435.6000000             -5.267399E-06
 113202.7000000             -2.632092E-05
  32063.3300000             -0.0001188719
  10459.6200000             -0.0003968552
   3775.5060000             -0.00142746
   1472.0400000             -0.003679181
    609.9331000             -0.01130774
    265.2634000             -0.02128221
    119.8607000             -0.05218271
     55.4489100             -0.03599014
     24.9837200             -0.03088759
     11.8805600              0.3380657
      5.6603110              0.2389559
      2.4957030              0.07609068
      1.1778660             -2.4081130
      0.5200440              2.6335920
      0.1159650             -0.0535851
      0.0589380             -2.2301350
V    S
      0.0269460              1.0
V    S
      0.0123200              1.0000000
V    P
  13273.2000000              0.0000430
   3142.1260000              0.0003840
   1020.5880000              0.0022100
    390.4407000              0.0096780
    165.5043000              0.0339360
     75.3200600              0.0959170
     36.0550300              0.2088530
     17.8043600              0.3306600
      9.0029290              0.3323120
      4.5945440              0.1581880
      2.2767600              0.0222520
      1.1011780             -0.0015650
      0.5186380             -0.0013530
      0.2005650             -0.0002650
      0.0812910              0.0000290
V    P
      4.6602                 1.0
V    P
      1.0852                 1.0
V    P
  13273.2000000             -0.0000150
   3142.1260000             -0.0001310
   1020.5880000             -0.0007550
    390.4407000             -0.0033250
    165.5043000             -0.0118110
     75.3200600             -0.0342560
     36.0550300             -0.0773630
     17.8043600             -0.1284560
      9.0029290             -0.1350780
      4.5945440              0.0208380
      2.2767600              0.3204990
      1.1011780              0.4602600
      0.5186380              0.2953460
      0.2005650              0.0490460
      0.0812910             -0.0038240
V    P
  13273.2000000              0.0000090
   3142.1260000              0.0000750
   1020.5880000              0.0004790
    390.4407000              0.0019060
    165.5043000              0.0075120
     75.3200600              0.0195300
     36.0550300              0.0504020
     17.8043600              0.0706850
      9.0029290              0.1087750
      4.5945440             -0.0585360
      2.2767600             -0.2154480
      1.1011780             -0.6773420
      0.5186380              0.5859790
      0.2005650              1.1291080
      0.0812910             -0.9740510
V    P
  13273.2000000              0.0000040
   3142.1260000              0.0000390
   1020.5880000              0.0002230
    390.4407000              0.0009960
    165.5043000              0.0034980
     75.3200600              0.0102960
     36.0550300              0.0229620
     17.8043600              0.0392080
      9.0029290              0.0399430
      4.5945440             -0.0071210
      2.2767600             -0.1162250
      1.1011780             -0.1694960
      0.5186380             -0.1553740
      0.2005650              0.3950220
      0.0812910              0.6789080
V    P
  13273.2000000              0.0000040
   3142.1260000              0.0000320
   1020.5880000              0.0001830
    390.4407000              0.0008020
    165.5043000              0.0028620
     75.3200600              0.0082870
     36.0550300              0.0188700
     17.8043600              0.0313070
      9.0029290              0.0336600
      4.5945440             -0.0094790
      2.2767600             -0.0923130
      1.1011780             -0.1489890
      0.5186380             -0.0836440
      0.2005650              0.2493390
      0.0812910              0.5805150
V    P
      0.0317950              1.0000000
V    P
      0.0124400              1.0000000
V    D
      2.9240                 1.0
V    D
      1.3597                 1.0
V    D
     77.6115000              0.0035950
     22.9159000              0.0252100
      8.2795400              0.0947860
      3.3099300              0.2303630
      1.3586300              0.3528940
      0.5413500              0.3704140
      0.2023560              0.2457180
V    D
     77.6115000              0.0060010
     22.9159000              0.0422060
      8.2795400              0.1707510
      3.3099300              0.3855180
      1.3586300              0.2062040
      0.5413500             -0.7786690
      0.2023560             -0.1147210
V    D
     77.6115000             -0.0038180
     22.9159000             -0.0267170
      8.2795400             -0.1036900
      3.3099300             -0.2476890
      1.3586300             -0.3115230
      0.5413500             -0.0228270
      0.2023560              0.5697260
V    D
      0.0675680              1.0000000
V    D
      0.0225600              1.0000000
V    F
      3.6389                 1.0
V    F
      1.2977                 1.0
V    F
      0.4125000              1.0000000
V    F
      0.1311200              1.0000000
V    G
      3.3597                 1.0
V    G
      1.1368000              1.0000000
V    G
      0.3846500              1.0000000
end
basis "Cr_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Cr    S
6177194.0000000              4.128667E-06
 924929.5000000              3.210767E-05
 210486.5000000              0.0001688416
  59620.0500000              0.000712852
  19450.7600000              0.002589325
   7022.0560000              0.00837735
   2738.7630000              0.02441725
   1135.8140000              0.06365135
    495.0923000              0.1427618
    224.7487000              0.2541275
    105.3836000              0.3009512
     50.1935900              0.1766513
     22.2495700              0.06936709
     10.9826500              0.1179579
      5.3836650              0.08916187
      2.3436850              0.0110363
      1.1052020             -0.0003546048
      0.4878480              0.0001057311
      0.0895990              1.11464E-05
Cr    S
6177194.0000000             -2.301772E-06
 924929.5000000             -1.789536E-05
 210486.5000000             -9.416174E-05
  59620.0500000             -0.0003975074
  19450.7600000             -0.001447025
   7022.0560000             -0.004694622
   2738.7630000             -0.01382387
   1135.8140000             -0.03674643
    495.0923000             -0.08647185
    224.7487000             -0.1696735
    105.3836000             -0.2507089
     50.1935900             -0.1961156
     22.2495700              0.1457244
     10.9826500              0.5466706
      5.3836650              0.3979434
      2.3436850              0.05277007
      1.1052020             -0.004374537
      0.4878480              0.0003204035
      0.0895990             -5.142077E-05
Cr    S
      4.7880                 1.0
Cr    S
      1.1404                 1.0
Cr    S
6177194.0000000              4.862957E-07
 924929.5000000              3.776645E-06
 210486.5000000              1.990664E-05
  59620.0500000              8.389164E-05
  19450.7600000              0.0003065706
   7022.0560000              0.0009944107
   2738.7630000              0.002961959
   1135.8140000              0.007969473
    495.0923000              0.01955017
    224.7487000              0.04085035
    105.3836000              0.06929003
     50.1935900              0.06146984
     22.2495700             -0.06981302
     10.9826500             -0.3517597
      5.3836650             -0.3828629
      2.3436850              0.2676401
      1.1052020              0.7175950
      0.4878480              0.3020814
      0.0895990              0.007749514
Cr    S
6177194.0000000              2.179893E-07
 924929.5000000              1.61294E-06
 210486.5000000              9.111842E-06
  59620.0500000              3.500645E-05
  19450.7600000              0.0001435315
   7022.0560000              0.0004035896
   2738.7630000              0.001425177
   1135.8140000              0.003114009
    495.0923000              0.009814449
    224.7487000              0.01474698
    105.3836000              0.03911512
     50.1935900              0.009170888
     22.2495700              0.01559878
     10.9826500             -0.2816844
      5.3836650             -0.006895261
      2.3436850             -0.1769781
      1.1052020              1.4430610
      0.4878480             -1.0293180
      0.0895990             -1.3076670
Cr    S
6177194.0000000             -1.102451E-07
 924929.5000000             -8.530233E-07
 210486.5000000             -4.520358E-06
  59620.0500000             -1.891612E-05
  19450.7600000             -6.974344E-05
   7022.0560000             -0.0002237867
   2738.7630000             -0.0006754503
   1135.8140000             -0.001789346
    495.0923000             -0.004477858
    224.7487000             -0.009140144
    105.3836000             -0.01610562
     50.1935900             -0.0133487
     22.2495700              0.01426027
     10.9826500              0.0893169
      5.3836650              0.08885279
      2.3436850             -0.06368776
      1.1052020             -0.2783262
      0.4878480             -0.1830071
      0.0895990              0.6790937
Cr    S
6177194.0000000             -3.669010E-07
 924929.5000000             -2.768353E-06
 210486.5000000             -1.521014E-05
  59620.0500000             -6.066288E-05
  19450.7600000             -0.0002374959
   7022.0560000             -0.0007077071
   2738.7630000             -0.002334389
   1135.8140000             -0.005555062
    495.0923000             -0.01585142
    224.7487000             -0.02737888
    105.3836000             -0.06106975
     50.1935900             -0.02887227
     22.2495700              0.006813714
     10.9826500              0.4327670
      5.3836650              0.1968410
      2.3436850             -0.3764657
      1.1052020             -2.0524730
      0.4878480              2.9757410
      0.0895990             -2.2117050
Cr    S
      0.0334230              1.0000000
Cr    S
      0.0124700              1.0000000
Cr    P
  14454.2000000              0.0000440
   3421.6760000              0.0003890
   1111.3870000              0.0022410
    425.1918000              0.0098210
    180.2623000              0.0344710
     82.0611700              0.0974600
     39.2972600              0.2119850
     19.4195900              0.3339900
      9.8288990              0.3301370
      5.0168100              0.1522270
      2.4870910              0.0204250
      1.1987800             -0.0013600
      0.5586950             -0.0011950
      0.2089240             -0.0001970
      0.0846080              0.0000230
Cr    P
      5.2509                 1.0
Cr    P
      1.2051                 1.0
Cr    P
  14454.2000000             -0.0000150
   3421.6760000             -0.0001350
   1111.3870000             -0.0007770
    425.1918000             -0.0034270
    180.2623000             -0.0121890
     82.0611700             -0.0353880
     39.2972600             -0.0799150
     19.4195900             -0.1323350
      9.8288990             -0.1354010
      5.0168100              0.0320080
      2.4870910              0.3338490
      1.1987800              0.4617730
      0.5586950              0.2812900
      0.2089240              0.0418430
      0.0846080             -0.0040020
Cr    P
  14454.2000000              0.0000100
   3421.6760000              0.0000790
   1111.3870000              0.0005120
    425.1918000              0.0020230
    180.2623000              0.0080550
     82.0611700              0.0207720
     39.2972600              0.0542240
     19.4195900              0.0746850
      9.8288990              0.1159890
      5.0168100             -0.0765840
      2.4870910             -0.2439310
      1.1987800             -0.6801810
      0.5586950              0.7336640
      0.2089240              0.9991200
      0.0846080             -1.0170810
Cr    P
  14454.2000000              0.0000040
   3421.6760000              0.0000400
   1111.3870000              0.0002290
    425.1918000              0.0010190
    180.2623000              0.0036020
     82.0611700              0.0105500
     39.2972600              0.0237020
     19.4195900              0.0399880
      9.8288990              0.0404370
      5.0168100             -0.0120740
      2.4870910             -0.1189390
      1.1987800             -0.1781000
      0.5586950             -0.1238650
      0.2089240              0.4297220
      0.0846080              0.6507860
Cr    P
  14454.2000000              0.0000040
   3421.6760000              0.0000320
   1111.3870000              0.0001850
    425.1918000              0.0008100
    180.2623000              0.0029060
     82.0611700              0.0083910
     39.2972600              0.0191930
     19.4195900              0.0315640
      9.8288990              0.0334170
      5.0168100             -0.0129070
      2.4870910             -0.0936590
      1.1987800             -0.1499770
      0.5586950             -0.0672340
      0.2089240              0.2707590
      0.0846080              0.5758070
Cr    P
      0.0332580              1.0000000
Cr    P
      0.0130700              1.0000000
Cr    D
      3.4077                 1.0
Cr    D
      1.5922                 1.0
Cr    D
     88.5768000              0.0036210
     26.2045000              0.0257660
      9.5174700              0.0975560
      3.8224800              0.2363120
      1.5751200              0.3582860
      0.6289280              0.3685430
      0.2344240              0.2354940
Cr    D
     88.5768000              0.0059540
     26.2045000              0.0425320
      9.5174700              0.1745110
      3.8224800              0.3939000
      1.5751200              0.1492790
      0.6289280             -0.8102450
      0.2344240              0.0109110
Cr    D
     88.5768000             -0.0041220
     26.2045000             -0.0293070
      9.5174700             -0.1150620
      3.8224800             -0.2730680
      1.5751200             -0.3144230
      0.6289280              0.0420970
      0.2344240              0.5914030
Cr    D
      0.0768150              1.0000000
Cr    D
      0.0251700              1.0000000
Cr    F
      4.3857                 1.0
Cr    F
      1.6018                 1.0
Cr    F
      0.5315000              1.0000000
Cr    F
      0.1763600              1.0000000
Cr    G
      4.0730                 1.0
Cr    G
      1.4459000              1.0000000
Cr    G
      0.5132900              1.0000000
end
basis "Mn_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Mn    S
3960805.0000000              8.242127E-06
 593115.5000000              6.408587E-05
 134976.8000000              0.0003369253
  38230.6700000              0.001420648
  12471.5400000              0.005143683
   4501.7430000              0.01648569
   1755.2120000              0.0469856
    727.3039000              0.1162437
    316.3678000              0.2335277
    143.0098000              0.3292837
     66.2180500              0.2440304
     29.9189600              0.07219806
     14.3031800              0.07687806
      6.8394510              0.07852235
      3.0123740              0.01294109
      1.4188080             -0.0003784873
      0.6236240             -2.503203E-05
      0.1340980             -2.421517E-05
      0.0655480              3.462071E-05
Mn    S
3960805.0000000             -3.936095E-06
 593115.5000000             -3.060481E-05
 134976.8000000             -0.0001609626
  38230.6700000             -0.0006792348
  12471.5400000             -0.002466182
   4501.7430000             -0.007957629
   1755.2120000             -0.02307248
    727.3039000             -0.05932956
    316.3678000             -0.1299451
    143.0098000             -0.2212352
     66.2180500             -0.2292550
     29.9189600              0.03580733
     14.3031800              0.5107602
      6.8394510              0.5008307
      3.0123740              0.0901183
      1.4188080             -0.006909909
      0.6236240             -0.0001912925
      0.1340980             -0.0006032312
      0.0655480              0.0005621608
Mn    S
      4.1090                 1.0
Mn    S
      1.0656                 1.0
Mn    S
3960805.0000000              9.462709E-07
 593115.5000000              7.360584E-06
 134976.8000000              3.869935E-05
  38230.6700000              0.000163511
  12471.5400000              0.0005941775
   4501.7430000              0.001927737
   1755.2120000              0.005641731
    727.3039000              0.01487848
    316.3678000              0.03414783
    143.0098000              0.06405794
     66.2180500              0.07557659
     29.9189600             -0.0194607
     14.3031800             -0.2957874
      6.8394510             -0.4521170
      3.0123740              0.1224531
      1.4188080              0.7169756
      0.6236240              0.4092712
      0.1340980              0.02221969
      0.0655480             -0.009011202
Mn    S
3960805.0000000             -4.121231E-07
 593115.5000000             -3.282099E-06
 134976.8000000             -1.667433E-05
  38230.6700000             -7.369999E-05
  12471.5400000             -0.0002529495
   4501.7430000             -0.0008801425
   1755.2120000             -0.002365482
    727.3039000             -0.006926354
    316.3678000             -0.01393851
    143.0098000             -0.0314384
     66.2180500             -0.02625749
     29.9189600             -0.01048313
     14.3031800              0.1856472
      6.8394510              0.1524839
      3.0123740              0.07411368
      1.4188080             -1.0180970
      0.6236240              0.2980372
      0.1340980              1.9719890
      0.0655480             -1.1792530
Mn    S
3960805.0000000             -2.095391E-07
 593115.5000000             -1.629439E-06
 134976.8000000             -8.570592E-06
  38230.6700000             -3.619272E-05
  12471.5400000             -0.0001316146
   4501.7430000             -0.000426681
   1755.2120000             -0.00125027
    727.3039000             -0.003294665
    316.3678000             -0.00758186
    143.0098000             -0.01422864
     66.2180500             -0.01693796
     29.9189600              0.004454298
     14.3031800              0.06867042
      6.8394510              0.1113335
      3.0123740             -0.0390082
      1.4188080             -0.2215755
      0.6236240             -0.2544359
      0.1340980              0.2865866
      0.0655480              0.5755741
Mn    S
3960805.0000000             -6.805493E-07
 593115.5000000             -5.460516E-06
 134976.8000000             -2.743893E-05
  38230.6700000             -0.0001230291
  12471.5400000             -0.0004146269
   4501.7430000             -0.001475151
   1755.2120000             -0.00385914
    727.3039000             -0.01168405
    316.3678000             -0.02257185
    143.0098000             -0.05399759
     66.2180500             -0.04032351
     29.9189600             -0.02742526
     14.3031800              0.3485593
      6.8394510              0.2757818
      3.0123740             -0.05499812
      1.4188080             -2.2925450
      0.6236240              2.6356440
      0.1340980             -0.3379113
      0.0655480             -1.7896070
Mn    S
      0.0295840              1.0000000
Mn    S
      0.0133500              1.0000000
Mn    P
  16205.8600000              0.0000420
   3836.2740000              0.0003730
   1246.0480000              0.0021490
    476.7535000              0.0094450
    202.1895000              0.0332970
     92.0948700              0.0947590
     44.1472000              0.2081440
     21.8546800              0.3318050
     11.0859600              0.3331750
      5.6741080              0.1576010
      2.8231700              0.0214450
      1.3686210             -0.0025580
      0.6444310             -0.0020270
      0.2483820             -0.0003600
      0.0972550              0.0000340
Mn    P
      6.0291                 1.0
Mn    P
      1.3874                 1.0
Mn    P
  16205.8600000             -0.0000150
   3836.2740000             -0.0001290
   1246.0480000             -0.0007480
    476.7535000             -0.0033080
    202.1895000             -0.0118110
     92.0948700             -0.0345330
     44.1472000             -0.0787850
     21.8546800             -0.1321830
     11.0859600             -0.1371950
      5.6741080              0.0270750
      2.8231700              0.3288910
      1.3686210              0.4572800
      0.6444310              0.2889080
      0.2483820              0.0474330
      0.0972550             -0.0035220
Mn    P
  16205.8600000              0.0000100
   3836.2740000              0.0000810
   1246.0480000              0.0005120
    476.7535000              0.0020710
    202.1895000              0.0081110
     92.0948700              0.0215570
     44.1472000              0.0553160
     21.8546800              0.0802630
     11.0859600              0.1177300
      5.6741080             -0.0650690
      2.8231700             -0.2829140
      1.3686210             -0.6491660
      0.6444310              0.6925670
      0.2483820              0.9789900
      0.0972550             -0.9213570
Mn    P
  16205.8600000              0.0000040
   3836.2740000              0.0000400
   1246.0480000              0.0002260
    476.7535000              0.0010130
    202.1895000              0.0035750
     92.0948700              0.0106120
     44.1472000              0.0239020
     21.8546800              0.0412790
     11.0859600              0.0414750
      5.6741080             -0.0094580
      2.8231700             -0.1236950
      1.3686210             -0.1743920
      0.6444310             -0.1291700
      0.2483820              0.4003480
      0.0972550              0.6696460
Mn    P
  16205.8600000              0.0000030
   3836.2740000              0.0000300
   1246.0480000              0.0001720
    476.7535000              0.0007620
    202.1895000              0.0027260
     92.0948700              0.0079760
     44.1472000              0.0182870
     21.8546800              0.0307760
     11.0859600              0.0323730
      5.6741080             -0.0099780
      2.8231700             -0.0905290
      1.3686210             -0.1380040
      0.6444310             -0.0779650
      0.2483820              0.2295600
      0.0972550              0.5761220
Mn    P
      0.0366330              1.0000000
Mn    P
      0.0138000              1.0000000
Mn    D
      3.9425                 1.0
Mn    D
      1.8487                 1.0
Mn    D
    100.6630000              0.0035790
     29.8336000              0.0258270
     10.8894000              0.0985590
      4.3935800              0.2383270
      1.8178200              0.3587070
      0.7278270              0.3650920
      0.2712950              0.2337380
Mn    D
    100.6630000              0.0056850
     29.8336000              0.0411710
     10.8894000              0.1693220
      4.3935800              0.3859120
      1.8178200              0.1869090
      0.7278270             -0.6781130
      0.2712950             -0.2582600
Mn    D
    100.6630000             -0.0034540
     29.8336000             -0.0249250
     10.8894000             -0.0976350
      4.3935800             -0.2366920
      1.8178200             -0.2923500
      0.7278270             -0.0049730
      0.2712950              0.5065880
Mn    D
      0.0883090              1.0000000
Mn    D
      0.0287500              1.0000000
Mn    F
      5.1816                 1.0
Mn    F
      1.9232                 1.0
Mn    F
      0.6543000              1.0000000
Mn    F
      0.2226000              1.0000000
Mn    G
      4.7538                 1.0
Mn    G
      1.7335000              1.0000000
Mn    G
      0.6321300              1.0000000
end
basis "Fe_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Fe    S
4316265.0000000              8.048803E-06
 646342.4000000              6.258306E-05
 147089.7000000              0.0003290239
  41661.5200000              0.001387355
  13590.7700000              0.005023256
   4905.7500000              0.0161014
   1912.7460000              0.04590034
    792.6043000              0.1136154
    344.8065000              0.2283869
    155.8999000              0.3221159
     72.2309100              0.2383661
     32.7250600              0.07404667
     15.6676200              0.09214197
      7.5034830              0.0933979
      3.3122230              0.01573965
      1.5584710             -0.0004186682
      0.6839140              5.376318E-05
      0.1467570             -3.816654E-05
      0.0705830              4.319603E-05
Fe    S
4316265.0000000             -4.155954E-06
 646342.4000000             -3.231401E-05
 147089.7000000             -0.0001699525
  41661.5200000             -0.0007171369
  13590.7700000             -0.002603625
   4905.7500000             -0.008399109
   1912.7460000             -0.02434109
    792.6043000             -0.06251948
    344.8065000             -0.1365929
    155.8999000             -0.2312707
     72.2309100             -0.2383734
     32.7250600              0.03123837
     15.6676200              0.5086818
      7.5034830              0.4987695
      3.3122230              0.09033552
      1.5584710             -0.006005337
      0.6839140              0.0002312454
      0.1467570             -0.000564368
      0.0705830              0.000499226
Fe    S
      4.6116                 1.0
Fe    S
      1.2169                 1.0
Fe    S
4316265.0000000              9.532178E-07
 646342.4000000              7.414605E-06
 147089.7000000              3.898393E-05
  41661.5200000              0.0001647152
  13590.7700000              0.000598598
   4905.7500000              0.00194239
   1912.7460000              0.005687237
    792.6043000              0.01501329
    344.8065000              0.03452455
    155.8999000              0.0649582
     72.2309100              0.07716194
     32.7250600             -0.01873411
     15.6676200             -0.3009185
      7.5034830             -0.4554661
      3.3122230              0.1286463
      1.5584710              0.7183316
      0.6839140              0.4051743
      0.1467570              0.02168227
      0.0705830             -0.008343566
Fe    S
4316265.0000000             -4.009367E-07
 646342.4000000             -3.189255E-06
 147089.7000000             -1.623079E-05
  41661.5200000             -7.15792E-05
  13590.7700000             -0.0002463958
   4905.7500000             -0.0008544907
   1912.7460000             -0.002307593
    792.6043000             -0.006728292
    344.8065000             -0.01366165
    155.8999000             -0.0306224
     72.2309100             -0.02631137
     32.7250600             -0.009760183
     15.6676200              0.1801906
      7.5034830              0.1529634
      3.3122230              0.05505413
      1.5584710             -0.9551364
      0.6839140              0.2586813
      0.1467570              1.8340490
      0.0705830             -0.9333240
Fe    S
4316265.0000000             -2.063008E-07
 646342.4000000             -1.604169E-06
 147089.7000000             -8.438437E-06
  41661.5200000             -3.563151E-05
  13590.7700000             -0.0001295998
   4905.7500000             -0.0004201534
   1912.7460000             -0.001231954
    792.6043000             -0.003248922
    344.8065000             -0.007493717
    155.8999000             -0.01410102
     72.2309100             -0.0169160
     32.7250600              0.004218996
     15.6676200              0.0683381
      7.5034830              0.1098201
      3.3122230             -0.04009005
      1.5584710             -0.2174739
      0.6839140             -0.2465135
      0.1467570              0.2731435
      0.0705830              0.5748321
Fe    S
4316265.0000000             -6.966042E-07
 646342.4000000             -5.568036E-06
 147089.7000000             -2.813684E-05
  41661.5200000             -0.0001252418
  13590.7700000             -0.0004260787
   4905.7500000             -0.00149906
   1912.7460000             -0.003979103
    792.6043000             -0.01185686
    344.8065000             -0.02346734
    155.8999000             -0.05467736
     72.2309100             -0.0439382
     32.7250600             -0.02376103
     15.6676200              0.3435928
      7.5034830              0.3192960
      3.3122230             -0.1343207
      1.5584710             -2.2210200
      0.6839140              2.5711420
      0.1467570             -0.2292404
      0.0705830             -1.8324520
Fe    S
      0.0314490              1.0000000
Fe    S
      0.0140100              1.0000000
Fe    P
  17745.6900000              0.0000410
   4200.7210000              0.0003690
   1364.4290000              0.0021290
    522.0806000              0.0093690
    221.4595000              0.0330970
    100.9096000              0.0944310
     48.4011500              0.2080770
     23.9853600              0.3323330
     12.1825000              0.3329870
      6.2422980              0.1568430
      3.1109440              0.0215490
      1.5099580             -0.0020950
      0.7108450             -0.0017390
      0.2731900             -0.0003000
      0.1042330              0.0000290
Fe    P
      6.7110                 1.0
Fe    P
      1.6079                 1.0
Fe    P
  17745.6900000             -0.0000150
   4200.7210000             -0.0001300
   1364.4290000             -0.0007510
    522.0806000             -0.0033290
    221.4595000             -0.0119120
    100.9096000             -0.0349330
     48.4011500             -0.0799890
     23.9853600             -0.1346360
     12.1825000             -0.1385980
      6.2422980              0.0302780
      3.1109440              0.3332160
      1.5099580              0.4561530
      0.7108450              0.2850510
      0.2731900              0.0461440
      0.1042330             -0.0032490
Fe    P
  17745.6900000              0.0000110
   4200.7210000              0.0000870
   1364.4290000              0.0005410
    522.0806000              0.0022260
    221.4595000              0.0085930
    100.9096000              0.0233390
     48.4011500              0.0588440
     23.9853600              0.0882890
     12.1825000              0.1231920
      6.2422980             -0.0631860
      3.1109440             -0.3549020
      1.5099580             -0.6197080
      0.7108450              0.8129860
      0.2731900              0.8191180
      0.1042330             -0.9017050
Fe    P
  17745.6900000              0.0000050
   4200.7210000              0.0000420
   1364.4290000              0.0002410
    522.0806000              0.0010850
    221.4595000              0.0038310
    100.9096000              0.0114230
     48.4011500              0.0257920
     23.9853600              0.0448180
     12.1825000              0.0445980
      6.2422980             -0.0111770
      3.1109440             -0.1381340
      1.5099580             -0.1882850
      0.7108450             -0.1073990
      0.2731900              0.4448630
      0.1042330              0.6402390
Fe    P
  17745.6900000              0.0000030
   4200.7210000              0.0000290
   1364.4290000              0.0001650
    522.0806000              0.0007340
    221.4595000              0.0026260
    100.9096000              0.0077250
     48.4011500              0.0177330
     23.9853600              0.0300550
     12.1825000              0.0310940
      6.2422980             -0.0100480
      3.1109440             -0.0883060
      1.5099580             -0.1298240
      0.7108450             -0.0769370
      0.2731900              0.2126610
      0.1042330              0.5730610
Fe    P
      0.0382910              1.0000000
Fe    P
      0.0140700              1.0000000
Fe    D
      4.5326                 1.0
Fe    D
      2.1303                 1.0
Fe    D
    113.3440000              0.0035300
     33.6414000              0.0257840
     12.3310000              0.0991190
      4.9947800              0.2390730
      2.0728000              0.3571990
      0.8307530              0.3621880
      0.3091780              0.2364610
Fe    D
    113.3440000              0.0056950
     33.6414000              0.0420010
     12.3310000              0.1735400
      4.9947800              0.4101570
      2.0728000              0.1132520
      0.8307530             -0.7696800
      0.3091780             -0.0316430
Fe    D
    113.3440000             -0.0038900
     33.6414000             -0.0284420
     12.3310000             -0.1124290
      4.9947800             -0.2742570
      2.0728000             -0.3155460
      0.8307530              0.0571090
      0.3091780              0.5636040
Fe    D
      0.1001300              1.0000000
Fe    D
      0.0324300              1.0000000
Fe    F
      6.0522                 1.0
Fe    F
      2.2818                 1.0
Fe    F
      0.7920000              1.0000000
Fe    F
      0.2749000              1.0000000
Fe    G
      5.5476                 1.0
Fe    G
      2.0897000              1.0000000
Fe    G
      0.7871600              1.0000000
end
basis "Co_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Co    S
4675675.0000000              7.979026E-06
 700161.5000000              6.204071E-05
 159337.3000000              0.0003261735
  45130.4600000              0.00137536
  14722.3800000              0.004979997
   5314.2220000              0.01596434
   2072.0180000              0.04552086
    858.6188000              0.1127385
    373.5497000              0.2268262
    168.9229000              0.3203074
     78.2963900              0.2374021
     35.5212300              0.07477686
     17.0414400              0.09581872
      8.1730000              0.09649911
      3.6103180              0.01623362
      1.6970470             -0.0004535497
      0.7435320              5.113519E-05
      0.1583440             -4.174508E-05
      0.0750360              4.027577E-05
Co    S
4675675.0000000             -4.20024E-06
 700161.5000000             -3.265831E-05
 159337.3000000             -0.0001717644
  45130.4600000             -0.0007247853
  14722.3800000             -0.002631462
   5314.2220000             -0.008489272
   2072.0180000             -0.02460619
    858.6188000             -0.06322059
    373.5497000             -0.1381957
    168.9229000             -0.2340680
     78.2963900             -0.2415002
     35.5212300              0.03035312
     17.0414400              0.5101341
      8.1730000              0.4974939
      3.6103180              0.08970746
      1.6970470             -0.005941034
      0.7435320              0.0002175362
      0.1583440             -0.0005480155
      0.0750360              0.0004525804
Co    S
      5.1431                 1.0
Co    S
      1.3580                 1.0
Co    S
4675675.0000000              9.592692E-07
 700161.5000000              7.461851E-06
 159337.3000000              3.923137E-05
  45130.4600000              0.0001657706
  14722.3800000              0.0006024335
   5314.2220000              0.001955217
   2072.0180000              0.005726326
    858.6188000              0.01512984
    373.5497000              0.03483973
    168.9229000              0.06570351
     78.2963900              0.07831503
     35.5212300             -0.01877037
     17.0414400             -0.3062663
      8.1730000             -0.4566429
      3.6103180              0.1378169
      1.6970470              0.7193676
      0.7435320              0.3992579
      0.1583440              0.02079933
      0.0750360             -0.007820663
Co    S
4675675.0000000             -3.863053E-07
 700161.5000000             -3.068788E-06
 159337.3000000             -1.564826E-05
  45130.4600000             -6.883588E-05
  14722.3800000             -0.0002377367
   5314.2220000             -0.0008213173
   2072.0180000             -0.00222963
    858.6188000             -0.006467841
    373.5497000             -0.01325463
    168.9229000             -0.02946686
     78.2963900             -0.02599066
     35.5212300             -0.008499807
     17.0414400              0.1727316
      8.1730000              0.1512189
      3.6103180              0.03554509
      1.6970470             -0.8829353
      0.7435320              0.2143530
      0.1583440              1.7118650
      0.0750360             -0.7140037
Co    S
4675675.0000000             -2.02884E-07
 700161.5000000             -1.57758E-06
 159337.3000000             -8.298813E-06
  45130.4600000             -3.504154E-05
  14722.3800000             -0.0001274655
   5314.2220000             -0.0004132695
   2072.0180000             -0.001212261
    858.6188000             -0.003199318
    373.5497000             -0.007390972
    168.9229000             -0.01393649
     78.2963900             -0.01678575
     35.5212300              0.004149856
     17.0414400              0.06797646
      8.1730000              0.1075807
      3.6103180             -0.04166022
      1.6970470             -0.2128044
      0.7435320             -0.2381360
      0.1583440              0.2650788
      0.0750360              0.5722774
Co    S
4675675.0000000             -7.174687E-07
 700161.5000000             -5.722157E-06
 159337.3000000             -2.90097E-05
  45130.4600000             -0.0001285845
  14722.3800000             -0.0004398434
   5314.2220000             -0.001537586
   2072.0180000             -0.004116022
    858.6188000             -0.01215514
    373.5497000             -0.02440441
    168.9229000             -0.05601976
     78.2963900             -0.04689449
     35.5212300             -0.02168828
     17.0414400              0.3477789
      8.1730000              0.3500597
      3.6103180             -0.2048551
      1.6970470             -2.1632110
      0.7435320              2.5240910
      0.1583440             -0.1590011
      0.0750360             -1.8252670
Co    S
      0.0330910              1.0000000
Co    S
      0.0145900              1.0000000
Co    P
  19267.7800000              0.0000410
   4560.9860000              0.0003690
   1481.4360000              0.0021280
    566.8671000              0.0093720
    240.4910000              0.0331550
    109.6105000              0.0947520
     52.5949100              0.2090930
     26.0836100              0.3337220
     13.2614300              0.3322080
      6.7997780              0.1546130
      3.3934140              0.0209020
      1.6487660             -0.0020240
      0.7762820             -0.0016970
      0.2980030             -0.0002800
      0.1136180              0.0000260
Co    P
      7.6909                 1.0
Co    P
      1.7617                 1.0
Co    P
  19267.7800000             -0.0000150
   4560.9860000             -0.0001310
   1481.4360000             -0.0007580
    566.8671000             -0.0033630
    240.4910000             -0.0120540
    109.6105000             -0.0354240
     52.5949100             -0.0812870
     26.0836100             -0.1369080
     13.2614300             -0.1390190
      6.7997780              0.0354680
      3.3934140              0.3384980
      1.6487660              0.4544330
      0.7762820              0.2797930
      0.2980030              0.0447760
      0.1136180             -0.0031510
Co    P
  19267.7800000              0.0000110
   4560.9860000              0.0000920
   1481.4360000              0.0005630
    566.8671000              0.0023540
    240.4910000              0.0089760
    109.6105000              0.0248100
     52.5949100              0.0615800
     26.0836100              0.0947770
     13.2614300              0.1266930
      6.7997780             -0.0637540
      3.3934140             -0.4185660
      1.6487660             -0.5678650
      0.7762820              0.8754060
      0.2980030              0.7182630
      0.1136180             -0.8747220
Co    P
  19267.7800000              0.0000050
   4560.9860000              0.0000450
   1481.4360000              0.0002550
    566.8671000              0.0011440
    240.4910000              0.0040610
    109.6105000              0.0120950
     52.5949100              0.0274760
     26.0836100              0.0475570
     13.2614300              0.0473020
      6.7997780             -0.0144180
      3.3934140             -0.1500620
      1.6487660             -0.1990920
      0.7762820             -0.0797830
      0.2980030              0.4590350
      0.1136180              0.6174950
Co    P
  19267.7800000             -0.0000030
   4560.9860000             -0.0000290
   1481.4360000             -0.0001670
    566.8671000             -0.0007420
    240.4910000             -0.0026620
    109.6105000             -0.0078410
     52.5949100             -0.0180510
     26.0836100             -0.0305800
     13.2614300             -0.0313120
      6.7997780              0.0113110
      3.3934140              0.0899900
      1.6487660              0.1307330
      0.7762820              0.0718080
      0.2980030             -0.2216580
      0.1136180             -0.5710250
Co    P
      0.0416240              1.0000000
Co    P
      0.0152500              1.0000000
Co    D
      5.1278                 1.0
Co    D
      2.4094                 1.0
Co    D
    126.2640000              0.0035100
     37.5226000              0.0258840
     13.8021000              0.1000580
      5.6092700              0.2405470
      2.3336900              0.3568430
      0.9364150              0.3595790
      0.3482370              0.2366290
Co    D
    126.2640000              0.0054700
     37.5226000              0.0408130
     13.8021000              0.1689780
      5.6092700              0.4093590
      2.3336900              0.0863160
      0.9364150             -0.7690080
      0.3482370              0.0033550
Co    D
    126.2640000             -0.0040670
     37.5226000             -0.0300530
     13.8021000             -0.1196200
      5.6092700             -0.2915130
      2.3336900             -0.3180480
      0.9364150              0.0916980
      0.3482370              0.5608230
Co    D
      0.1123530              1.0000000
Co    D
      0.0362500              1.0000000
Co    F
      6.9610                 1.0
Co    F
      2.6489                 1.0
Co    F
      0.9309000              1.0000000
Co    F
      0.3271500              1.0000000
Co    G
      6.3721                 1.0
Co    G
      2.4709000              1.0000000
Co    G
      0.9581400              1.0000000
end
basis "Ni_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Ni    S
5045991.0000000              8.208996E-06
 755614.2000000              6.382884E-05
 171956.8000000              0.00033558
  48704.7900000              0.001415075
  15888.4100000              0.005124444
   5735.1230000              0.01643256
   2236.1370000              0.04689398
    926.6468000              0.1163534
    403.1743000              0.2350511
    182.3476000              0.3350184
     84.5488500              0.2534779
     38.3963400              0.07300901
     18.4585900              0.06184244
      8.8635480              0.06302956
      3.9162270              0.01008063
      1.8388700             -0.0002244528
      0.8043620             -5.932767E-05
      0.1697970             -1.158562E-05
      0.0793060              8.115109E-06
Ni    S
5045991.0000000             -3.657849E-06
 755614.2000000             -2.844094E-05
 171956.8000000             -0.0001495928
  48704.7900000             -0.0006313009
  15888.4100000             -0.002293052
   5735.1230000             -0.007405123
   2236.1370000             -0.02152032
    926.6468000             -0.05560974
    403.1743000             -0.1230176
    182.3476000             -0.2130104
     84.5488500             -0.2265837
     38.3963400              0.03546796
     18.4585900              0.5181697
      8.8635480              0.5025630
      3.9162270              0.08955674
      1.8388700             -0.007031311
      0.8043620             -0.0004339167
      0.1697970             -0.0005831711
      0.0793060              0.0004228788
Ni    S
      5.7408                 1.0
Ni    S
      1.5172                 1.0
Ni    S
5045991.0000000              9.594149E-07
 755614.2000000              7.462614E-06
 171956.8000000              3.923843E-05
  48704.7900000              0.0001657868
  15888.4100000              0.0006025905
   5735.1230000              0.001955662
   2236.1370000              0.005730391
    926.6468000              0.01514756
    403.1743000              0.03493499
    182.3476000              0.06598072
     84.5488500              0.07893083
     38.3963400             -0.01906249
     18.4585900             -0.3095921
      8.8635480             -0.4558610
      3.9162270              0.1482931
      1.8388700              0.7134039
      0.8043620              0.3976063
      0.1697970              0.02295523
      0.0793060             -0.009151758
Ni    S
5045991.0000000             -3.924245E-07
 755614.2000000             -3.113909E-06
 171956.8000000             -1.590447E-05
  48704.7900000             -6.981394E-05
  15888.4100000             -0.0002417848
   5735.1230000             -0.0008326195
   2236.1370000             -0.002270294
    926.6468000             -0.006557427
    403.1743000             -0.01354288
    182.3476000             -0.02989768
     84.5488500             -0.02693106
     38.3963400             -0.007827693
     18.4585900              0.1741667
      8.8635480              0.1595468
      3.9162270              0.0199555
      1.8388700             -0.8897000
      0.8043620              0.2486892
      0.1697970              1.6130120
      0.0793060             -0.5990277
Ni    S
5045991.0000000             -2.013753E-07
 755614.2000000             -1.565832E-06
 171956.8000000             -8.237182E-06
  48704.7900000             -3.478105E-05
  15888.4100000             -0.0001265265
   5735.1230000             -0.0004102589
   2236.1370000             -0.001203834
    926.6468000             -0.003179062
    403.1743000             -0.007353828
    182.3476000             -0.01389022
     84.5488500             -0.01677875
     38.3963400              0.004163378
     18.4585900              0.06814703
      8.8635480              0.1061029
      3.9162270             -0.0433998
      1.8388700             -0.2094950
      0.8043620             -0.2310271
      0.1697970              0.2590532
      0.0793060              0.5691426
Ni    S
5045991.0000000             -7.303633E-07
 755614.2000000             -5.802013E-06
 171956.8000000             -2.958547E-05
  48704.7900000             -0.0001301499
  15888.4100000             -0.0004495332
   5735.1230000             -0.001553314
   2236.1370000             -0.004219884
    926.6468000             -0.01225419
    403.1743000             -0.02519707
    182.3476000             -0.05621717
     84.5488500             -0.05022229
     38.3963400             -0.01677412
     18.4585900              0.3388021
      8.8635480              0.3984975
      3.9162270             -0.3032053
      1.8388700             -2.0796190
      0.8043620              2.5005420
      0.1697970             -0.2169002
      0.0793060             -1.7091780
Ni    S
      0.0346770              1.0000000
Ni    S
      0.0151600              1.0000000
Ni    P
  21027.9200000              0.0000410
   4977.5600000              0.0003630
   1616.7400000              0.0020970
    618.6718000              0.0092500
    262.5183000              0.0327960
    119.6907000              0.0940040
     57.4658500              0.2082800
     28.5282900              0.3336540
     14.5214800              0.3329040
      7.4538500              0.1553720
      3.7235530              0.0208590
      1.8098130             -0.0024400
      0.8513360             -0.0019980
      0.3248140             -0.0003380
      0.1195220              0.0000350
Ni    P
      8.6879                 1.0
Ni    P
      2.0080                 1.0
Ni    P
  21027.9200000             -0.0000150
   4977.5600000             -0.0001290
   1616.7400000             -0.0007490
    618.6718000             -0.0033280
    262.5183000             -0.0119470
    119.6907000             -0.0352420
     57.4658500             -0.0812040
     28.5282900             -0.1374930
     14.5214800             -0.1392260
      7.4538500              0.0360160
      3.7235530              0.3391280
      1.8098130              0.4504720
      0.8513360              0.2817830
      0.3248140              0.0478980
      0.1195220             -0.0029870
Ni    P
  21027.9200000              0.0000110
   4977.5600000              0.0000950
   1616.7400000              0.0005800
    618.6718000              0.0024510
    262.5183000              0.0092820
    119.6907000              0.0260090
     57.4658500              0.0640960
     28.5282900              0.1007100
     14.5214800              0.1325390
      7.4538500             -0.0650890
      3.7235530             -0.4897560
      1.8098130             -0.4984550
      0.8513360              0.9663570
      0.3248140              0.5283790
      0.1195220             -0.8676760
Ni    P
  21027.9200000              0.0000060
   4977.5600000              0.0000530
   1616.7400000              0.0003050
    618.6718000              0.0013640
    262.5183000              0.0048760
    119.6907000              0.0145030
     57.4658500              0.0332960
     28.5282900              0.0574820
     14.5214800              0.0587020
      7.4538500             -0.0199040
      3.7235530             -0.1946950
      1.8098130             -0.2396130
      0.8513360             -0.0022320
      0.3248140              0.5214350
      0.1195220              0.5455400
Ni    P
  21027.9200000              0.0000030
   4977.5600000              0.0000260
   1616.7400000              0.0001520
    618.6718000              0.0006780
    262.5183000              0.0024270
    119.6907000              0.0072010
     57.4658500              0.0165780
     28.5282900              0.0283920
     14.5214800              0.0285990
      7.4538500             -0.0101320
      3.7235530             -0.0829120
      1.8098130             -0.1159980
      0.8513360             -0.0727950
      0.3248140              0.1956400
      0.1195220              0.5670990
Ni    P
      0.0423660              1.0000000
Ni    P
      0.0150200              1.0000000
Ni    D
      5.7882                 1.0
Ni    D
      2.7127                 1.0
Ni    D
    140.2527000              0.0033760
     41.7261000              0.0251410
     15.3981000              0.0977460
      6.2771000              0.2347090
      2.6185000              0.3469450
      1.0526000              0.3510680
      0.3916000              0.2502550
Ni    D
    140.2527000              0.0050520
     41.7261000              0.0380870
     15.3981000              0.1561130
      6.2771000              0.3861560
      2.6185000              0.1756050
      1.0526000             -0.6268070
      0.3916000             -0.3427750
Ni    D
    140.2527000             -0.0034950
     41.7261000             -0.0260150
     15.3981000             -0.1038760
      6.2771000             -0.2520700
      2.6185000             -0.2945800
      1.0526000              0.0011520
      0.3916000              0.4385890
Ni    D
      0.1262000              1.0000000
Ni    D
      0.0406700              1.0000000
Ni    F
      8.0748                 1.0
Ni    F
      3.1196                 1.0
Ni    F
      1.1286000              1.0000000
Ni    F
      0.4083000              1.0000000
Ni    G
      7.3562                 1.0
Ni    G
      2.9771000              1.0000000
Ni    G
      1.2048500              1.0000000
end
basis "Cu_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Cu    S
5430321.0000000              7.801026E-06
 813166.5000000              6.065666E-05
 185054.4000000              0.0003188964
  52414.6600000              0.001344687
  17098.6800000              0.00486905
   6171.9940000              0.01561013
   2406.4810000              0.04452077
    997.2584000              0.1103111
    433.9289000              0.2220342
    196.2869000              0.3133739
     91.0428000              0.2315121
     41.3842500              0.0764092
     19.9327800              0.1103818
      9.5818910              0.1094372
      4.2345160              0.01836311
      1.9858140             -0.0006043084
      0.8670830              5.092245E-05
      0.1813390             -5.54073E-05
      0.0836570              3.969482E-05
Cu    S
5430321.0000000             -4.404706E-06
 813166.5000000             -3.424801E-05
 185054.4000000             -0.0001801238
  52414.6600000             -0.0007600455
  17098.6800000             -0.002759348
   6171.9940000             -0.00890097
   2406.4810000             -0.02579378
    997.2584000             -0.06623861
    433.9289000             -0.1445927
    196.2869000             -0.2440110
     91.0428000             -0.2504837
     41.3842500              0.02852577
     19.9327800              0.5115874
      9.5818910              0.4928061
      4.2345160              0.08788437
      1.9858140             -0.005820281
      0.8670830              0.0002013508
      0.1813390             -0.0005182553
      0.0836570              0.0003731503
Cu    S
      6.3233                 1.0
Cu    S
      1.6459                 1.0
Cu    S
5430321.0000000              9.704682E-07
 813166.5000000              7.549245E-06
 185054.4000000              3.968892E-05
  52414.6600000              0.00016772
  17098.6800000              0.0006095101
   6171.9940000              0.001978846
   2406.4810000              0.005798049
    997.2584000              0.01534158
    433.9289000              0.03540484
    196.2869000              0.06702098
     91.0428000              0.08026945
     41.3842500             -0.01927231
     19.9327800             -0.3160129
      9.5818910             -0.4573162
      4.2345160              0.1550841
      1.9858140              0.7202872
      0.8670830              0.3885122
      0.1813390              0.01924326
      0.0836570             -0.007103807
Cu    S
5430321.0000000             -3.532229E-07
 813166.5000000             -2.798812E-06
 185054.4000000             -1.432517E-05
  52414.6600000             -6.270946E-05
  17098.6800000             -0.000217949
   6171.9940000             -0.0007474316
   2406.4810000             -0.002049271
    997.2584000             -0.005885203
    433.9289000             -0.01226885
    196.2869000             -0.02683147
     91.0428000             -0.02479261
     41.3842500             -0.005984746
     19.9327800              0.1557124
      9.5818910              0.1436683
      4.2345160              0.008374103
      1.9858140             -0.7460711
      0.8670830              0.1244367
      0.1813390              1.5101100
      0.0836570             -0.3477122
Cu    S
5430321.0000000             -1.959354E-07
 813166.5000000             -1.523472E-06
 185054.4000000             -8.014808E-06
  52414.6600000             -3.383992E-05
  17098.6800000             -0.0001231191
   6171.9940000             -0.0003992085
   2406.4810000             -0.0011719
    997.2584000             -0.003096141
    433.9289000             -0.007171993
    196.2869000             -0.01356621
     91.0428000             -0.01643989
     41.3842500              0.004107628
     19.9327800              0.06693964
      9.5818910              0.1028221
      4.2345160             -0.04422945
      1.9858140             -0.2031191
      0.8670830             -0.2230022
      0.1813390              0.2517975
      0.0836570              0.5650091
Cu    S
5430321.0000000             -7.508267E-07
 813166.5000000             -5.972018E-06
 185054.4000000             -3.039682E-05
  52414.6600000             -0.0001340405
  17098.6800000             -0.0004615778
   6171.9940000             -0.001601064
   2406.4810000             -0.004330942
    997.2584000             -0.01265434
    433.9289000             -0.02586864
    196.2869000             -0.05835428
     91.0428000             -0.05132322
     41.3842500             -0.01908953
     19.9327800              0.3586116
      9.5818910              0.3885818
      4.2345160             -0.3057106
      1.9858140             -2.0698960
      0.8670830              2.4317740
      0.1813390             -0.02121974
      0.0836570             -1.8202510
Cu    S
      0.0362670              1.0000000
Cu    S
      0.0157200              1.0000000
Cu    P
  22760.5700000              0.0000400
   5387.6790000              0.0003610
   1749.9450000              0.0020830
    669.6653000              0.0091970
    284.1948000              0.0326600
    129.6077000              0.0937950
     62.2541500              0.2082740
     30.9296400              0.3339930
     15.7582700              0.3324930
      8.0942110              0.1547280
      4.0469210              0.0212710
      1.9678690             -0.0016900
      0.9252950             -0.0015160
      0.3529920             -0.0002420
      0.1273070              0.0000230
Cu    P
      9.6845                 1.0
Cu    P
      2.2065                 1.0
Cu    P
  22760.5700000             -0.0000150
   5387.6790000             -0.0001310
   1749.9450000             -0.0007550
    669.6653000             -0.0033590
    284.1948000             -0.0120810
    129.6077000             -0.0357030
     62.2541500             -0.0825020
     30.9296400             -0.1398900
     15.7582700             -0.1407290
      8.0942110              0.0387660
      4.0469210              0.3426950
      1.9678690              0.4523100
      0.9252950              0.2770540
      0.3529920              0.0438850
      0.1273070             -0.0028020
Cu    P
  22760.5700000              0.0000110
   5387.6790000              0.0000960
   1749.9450000              0.0005900
    669.6653000              0.0024840
    284.1948000              0.0094630
    129.6077000              0.0264530
     62.2541500              0.0656890
     30.9296400              0.1027320
     15.7582700              0.1370410
      8.0942110             -0.0709610
      4.0469210             -0.5047080
      1.9678690             -0.4780560
      0.9252950              0.9428920
      0.3529920              0.5446990
      0.1273070             -0.8327660
Cu    P
  22760.5700000              0.0000050
   5387.6790000              0.0000490
   1749.9450000              0.0002780
    669.6653000              0.0012530
    284.1948000              0.0044470
    129.6077000              0.0133700
     62.2541500              0.0304690
     30.9296400              0.0534470
     15.7582700              0.0526390
      8.0942110             -0.0168810
      4.0469210             -0.1794480
      1.9678690             -0.2095880
      0.9252950             -0.0396330
      0.3529920              0.5021300
      0.1273070              0.5811110
Cu    P
  22760.5700000              0.0000030
   5387.6790000              0.0000250
   1749.9450000              0.0001470
    669.6653000              0.0006560
    284.1948000              0.0023510
    129.6077000              0.0070040
     62.2541500              0.0161310
     30.9296400              0.0277700
     15.7582700              0.0275670
      8.0942110             -0.0101150
      4.0469210             -0.0810090
      1.9678690             -0.1104090
      0.9252950             -0.0717320
      0.3529920              0.1879300
      0.1273070              0.5646290
Cu    P
      0.0443560              1.0000000
Cu    P
      0.0154500              1.0000000
Cu    D
      6.9242                 1.0
Cu    D
      3.3410                 1.0
Cu    D
    173.8970000              0.0027000
     51.8869000              0.0209090
     19.3419000              0.0844080
      7.9757200              0.2139990
      3.3982300              0.3359800
      1.4093200              0.3573010
      0.5488580              0.2645780
Cu    D
    173.8970000              0.0041330
     51.8869000              0.0330850
     19.3419000              0.1383360
      7.9757200              0.3901660
      3.3982300              0.1698420
      1.4093200             -0.6830180
      0.5488580             -0.2657970
Cu    D
    173.8970000             -0.0033630
     51.8869000             -0.0260790
     19.3419000             -0.1082310
      7.9757200             -0.2822170
      3.3982300             -0.3471900
      1.4093200              0.0267110
      0.5488580              0.4920470
Cu    D
      0.1901990              1.0000000
Cu    D
      0.0659100              1.0000000
Cu    F
      9.2215                 1.0
Cu    F
      3.5468                 1.0
Cu    F
      1.2797000              1.0000000
Cu    F
      0.4617200              1.0000000
Cu    G
      8.3127                 1.0
Cu    G
      3.4835000              1.0000000
Cu    G
      1.4597900              1.0000000
end
basis "Zn_aug-cc-pwCVTZ" SPHERICAL 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Zn    S
5820021.0000000              8.549241E-06
 871523.4000000              6.64741E-05
 198335.0000000              0.0003494962
  56176.3100000              0.001473832
  18325.8200000              0.00533833
   6614.9550000              0.01712708
   2579.1990000              0.04894085
   1068.8490000              0.1217934
    465.1045000              0.2476589
    210.4130000              0.3582431
     97.6162900              0.2798174
     44.3802000              0.06857491
     21.4230800             -0.001311092
     10.3089100              0.001914001
      4.5536450             -0.000875922
      2.1328210              0.0003740096
      0.9296970             -0.0001401399
      0.1921470              4.757132E-05
      0.0875950             -3.642711E-05
Zn    S
5820021.0000000             -2.640069E-06
 871523.4000000             -2.05272E-05
 198335.0000000             -0.0001079859
  56176.3100000             -0.0004558577
  18325.8200000             -0.001657758
   6614.9550000             -0.005368492
   2579.1990000             -0.01571249
   1068.8490000             -0.04122558
    465.1045000             -0.09406459
    210.4130000             -0.1719954
     97.6162900             -0.1958523
     44.3802000              0.04532907
     21.4230800              0.5244442
     10.3089100              0.5006142
      4.5536450              0.08945527
      2.1328210             -0.002146262
      0.9296970              0.002112113
      0.1921470             -0.000413398
      0.0875950              0.0003209752
Zn    S
      7.0381                 1.0
Zn    S
      1.8099                 1.0
Zn    S
5820021.0000000              9.967103E-07
 871523.4000000              7.754163E-06
 198335.0000000              4.076019E-05
  56176.3100000              0.0001722811
  18325.8200000              0.000625937
   6614.9550000              0.002032855
   2579.1990000              0.005954646
   1068.8490000              0.0157664
    465.1045000              0.03637638
    210.4130000              0.06892343
     97.6162900              0.08238093
     44.3802000             -0.0201136
     21.4230800             -0.3252526
     10.3089100             -0.4602899
      4.5536450              0.1635546
      2.1328210              0.7297118
      0.9296970              0.3769751
      0.1921470              0.01433224
      0.0875950             -0.00667121
Zn    S
5820021.0000000              8.040791E-07
 871523.4000000              6.282936E-06
 198335.0000000              3.281868E-05
  56176.3100000              0.0001398858
  18325.8200000              0.0005029836
   6614.9550000              0.001655419
   2579.1990000              0.004778677
   1068.8490000              0.01292479
    465.1045000              0.02925831
    210.4130000              0.05791816
     97.6162900              0.06640681
     44.3802000             -0.007388966
     21.4230800             -0.3329989
     10.3089100             -0.5917865
      4.5536450              0.9011406
      2.1328210              1.5859510
      0.9296970             -2.7880080
      0.1921470              2.0718840
      0.0875950             -0.6012025
Zn    S
5820021.0000000             -5.43591E-07
 871523.4000000             -4.336894E-06
 198335.0000000             -2.197572E-05
  56176.3100000             -9.747392E-05
  18325.8200000             -0.0003331615
   6614.9550000             -0.001166192
   2579.1990000             -0.003119308
   1068.8490000             -0.009239504
    465.1045000             -0.01855471
    210.4130000             -0.04281189
     97.6162900             -0.03571095
     44.3802000             -0.0163835
     21.4230800              0.2644664
     10.3089100              0.2086588
      4.5536450             -0.01774382
      2.1328210             -1.3538730
      0.9296970              0.8182926
      0.1921470              1.6950360
      0.0875950             -1.3886560
Zn    S
5820021.0000000              1.995818E-07
 871523.4000000              1.552973E-06
 198335.0000000              8.161259E-06
  56176.3100000              3.450747E-05
  18325.8200000              0.0001253275
   6614.9550000              0.000407299
   2579.1990000              0.001192734
   1068.8490000              0.00316314
    465.1045000              0.007303942
    210.4130000              0.01391279
     97.6162900              0.0167062
     44.3802000             -0.004035586
     21.4230800             -0.06968861
     10.3089100             -0.1030105
      4.5536450              0.04471442
      2.1328210              0.2150027
      0.9296970              0.2220163
      0.1921470             -0.3114776
      0.0875950             -0.5693429
Zn    S
      0.0377020              1.0000000
Zn    S
      0.0162300              1.0000000
Zn    P
  24411.9800000              0.0000410
   5778.5180000              0.0003610
   1876.8620000              0.0020880
    718.2361000              0.0092210
    304.8327000              0.0327730
    139.0453000              0.0941790
     66.8041700              0.2091320
     33.2069900              0.3345690
     16.9281600              0.3303590
      8.6962290              0.1523470
      4.3505100              0.0229840
      2.1165230              0.0016070
      0.9953870              0.0004680
      0.3781120              0.0000660
      0.1345790             -0.0000020
Zn    P
     10.1501                 1.0
Zn    P
      2.3451                 1.0
Zn    P
  24411.9800000             -0.0000150
   5778.5180000             -0.0001350
   1876.8620000             -0.0007820
    718.2361000             -0.0034780
    304.8327000             -0.0125200
    139.0453000             -0.0370160
     66.8041700             -0.0855590
     33.2069900             -0.1447180
     16.9281600             -0.1434420
      8.6962290              0.0435950
      4.3505100              0.3488880
      2.1165230              0.4538650
      0.9953870              0.2685940
      0.3781120              0.0388680
      0.1345790             -0.0024920
Zn    P
  24411.9800000              0.0000120
   5778.5180000              0.0000960
   1876.8620000              0.0005940
    718.2361000              0.0024840
    304.8327000              0.0095370
    139.0453000              0.0264790
     66.8041700              0.0663660
     33.2069900              0.1024580
     16.9281600              0.1386830
      8.6962290             -0.0801400
      4.3505100             -0.4960690
      2.1165230             -0.4635100
      0.9953870              0.8745310
      0.3781120              0.6297900
      0.1345790             -0.8116860
Zn    P
  24411.9800000              0.0000050
   5778.5180000              0.0000420
   1876.8620000              0.0002380
    718.2361000              0.0010880
    304.8327000              0.0038210
    139.0453000              0.0116440
     66.8041700              0.0261670
     33.2069900              0.0467500
     16.9281600              0.0433090
      8.6962290             -0.0134290
      4.3505100             -0.1538970
      2.1165230             -0.1674130
      0.9953870             -0.0849950
      0.3781120              0.4508130
      0.1345790              0.6408690
Zn    P
  24411.9800000              0.0000030
   5778.5180000              0.0000250
   1876.8620000              0.0001440
    718.2361000              0.0006450
    304.8327000              0.0023110
    139.0453000              0.0068980
     66.8041700              0.0158820
     33.2069900              0.0273500
     16.9281600              0.0266210
      8.6962290             -0.0108580
      4.3505100             -0.0798530
      2.1165230             -0.1061270
      0.9953870             -0.0688830
      0.3781120              0.1843850
      0.1345790              0.5617880
Zn    P
      0.0462820              1.0000000
Zn    P
      0.0159200              1.0000000
Zn    D
      7.7440                 1.0
Zn    D
      3.9663                 1.0
Zn    D
    205.6177000              0.0023420
     61.4498100              0.0186060
     23.0568900              0.0771020
      9.5777390              0.2020260
      4.1337340              0.3294540
      1.7475180              0.3609760
      0.6995600              0.2716570
Zn    D
    205.6177000              0.0037400
     61.4498100              0.0318250
     23.0568900              0.1322290
      9.5777390              0.4245500
      4.1337340              0.1203700
      1.7475180             -0.7626610
      0.6995600             -0.1128230
Zn    D
    205.6177000              0.0032790
     61.4498100              0.0261760
     23.0568900              0.1113670
      9.5777390              0.3045810
      4.1337340              0.3862990
      1.7475180             -0.0583750
      0.6995600             -0.5388760
Zn    D
      0.2516080              1.0000000
Zn    D
      0.0904900              1.0000000
Zn    F
     10.3270                 1.0
Zn    F
      4.0202                 1.0
Zn    F
      1.4851000              1.0000000
Zn    F
      0.5486100              1.0000000
Zn    G
      9.2538                 1.0
Zn    G
      4.1144000              1.0000000
Zn    G
      1.8293300              1.0000000
end
