# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# aug-cc-pV5Z version number 1
# Description: aug-cc-pV5Z
# 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
# 
#  H,B-Ne
#      The cc-pV5Z basis set
#          dunning1989a
# 
#      Augmenting functions for cc-pV5Z
#          kendall1992a
# 
#  He
#      The cc-pV5Z basis set
#          woon1994a
# 
#      Augmenting functions for cc-pV5Z
#          woon1994a
# 
#  Li,Be
#      Common functions for cc-pV5Z and similar
#          prascher2011a
# 
#      Augmenting functions for cc-pV5Z
#          prascher2011a
# 
#  Na,Mg
#      Common functions for cc-pV5Z and similar
#          prascher2011a
# 
#      Additional functions to form cc-pV5Z
#          prascher2011a
# 
#      Augmenting functions for cc-pV5Z
#          prascher2011a
# 
#  Al-Ar
#      Common functions for cc-pV5Z and similar
#          woon1993a
# 
#      Additional functions to form cc-pV5Z
#          woon1993a
# 
#      Augmenting functions for cc-pV5Z
#          woon1993a
# 
#  Sc-Zn
#      The cc-pV5Z basis set
#          balabanov2005a
# 
#      Augmenting functions for cc-pV5Z
#          balabanov2005a
# 
#  Ga-Kr
#      The cc-pV5Z basis set
#          wilson1999a
# 
#      Augmenting functions for cc-pV5Z
#          wilson1999a
# 
# 
# 
# 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
# 
# prascher2011a
#     Prascher, Brian P., Woon, David E., Peterson, Kirk A., Dunning, Thom
#             H., Wilson, Angela K.
#     Gaussian basis sets for use in correlated molecular calculations. VII.
#             Valence, core-valence, and scalar relativistic basis sets for
#             Li, Be, Na, and Mg
#     Theor. Chem. Acc. 128, 69-82 (2011)
#     10.1007/s00214-010-0764-0
# 
# wilson1999a
#     Wilson, Angela K., Woon, David E., Peterson, Kirk A., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IX.
#             The atoms gallium through krypton
#     J. Chem. Phys. 110, 7667-7676 (1999)
#     10.1063/1.478678
# 
# 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
# 
# woon1994a
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IV.
#             Calculation of static electrical response properties
#     J. Chem. Phys. 100, 2975-2988 (1994)
#     10.1063/1.466439
# 
# # 
basis "H_aug-cc-pV5Z" SPHERICAL 
#basis SET: (9s,5p,4d,3f,2g) -> [6s,5p,4d,3f,2g]
H    S
      4.020000E+02           2.790000E-04
      6.024000E+01           2.165000E-03
      1.373000E+01           1.120100E-02
      3.905000E+00           4.487800E-02
H    S
      1.283000E+00           1.000000E+00
H    S
      4.655000E-01           1.000000E+00
H    S
      1.811000E-01           1.000000E+00
H    S
      7.279000E-02           1.000000E+00
H    S
      0.0207000              1.0000000
H    P
      4.516000E+00           1.000000E+00
H    P
      1.712000E+00           1.000000E+00
H    P
      6.490000E-01           1.000000E+00
H    P
      2.460000E-01           1.000000E+00
H    P
      0.0744000              1.0000000
H    D
      2.950000E+00           1.000000E+00
H    D
      1.206000E+00           1.000000E+00
H    D
      4.930000E-01           1.000000E+00
H    D
      0.1560000              1.0000000
H    F
      2.506000E+00           1.000000E+00
H    F
      8.750000E-01           1.000000E+00
H    F
      0.2740000              1.0000000
H    G
      2.358000E+00           1.0000000
H    G
      0.5430000              1.0000000
end
basis "He_aug-cc-pV5Z" SPHERICAL 
#basis SET: (9s,5p,4d,3f,2g) -> [6s,5p,4d,3f,2g]
He    S
      1.145000E+03           3.590000E-04
      1.717000E+02           2.771000E-03
      3.907000E+01           1.425100E-02
      1.104000E+01           5.556600E-02
He    S
      3.566000E+00           1.000000E+00
He    S
      1.240000E+00           1.000000E+00
He    S
      4.473000E-01           1.000000E+00
He    S
      1.640000E-01           1.000000E+00
He    S
      0.0466400              1.0000000
He    P
      1.015300E+01           1.000000E+00
He    P
      3.627000E+00           1.000000E+00
He    P
      1.296000E+00           1.000000E+00
He    P
      4.630000E-01           1.000000E+00
He    P
      0.1400000              1.0000000
He    D
      7.666000E+00           1.000000E+00
He    D
      2.647000E+00           1.000000E+00
He    D
      9.140000E-01           1.000000E+00
He    D
      0.2892000              1.0000000
He    F
      5.411000E+00           1.000000E+00
He    F
      1.707000E+00           1.000000E+00
He    F
      0.5345000              1.0000000
He    G
      3.430000E+00           1.0000000
He    G
      0.7899000              1.0000000
end
basis "Li_aug-cc-pV5Z" SPHERICAL 
#basis SET: (25s,9p,5d,4f,3g,2h) -> [7s,6p,5d,4f,3g,2h]
Li    S
      2.949300E+04           1.800000E-05
      4.417101E+03           1.410000E-04
      1.005223E+03           7.390000E-04
      2.847009E+02           3.107000E-03
      9.286543E+01           1.113500E-02
      3.351179E+01           3.467000E-02
      1.304180E+01           9.217100E-02
      5.357536E+00           1.995760E-01
      2.279338E+00           3.288360E-01
      9.939900E-01           3.459750E-01
Li    S
      2.949300E+04          -3.000000E-06
      4.417101E+03          -2.200000E-05
      1.005223E+03          -1.150000E-04
      2.847009E+02          -4.870000E-04
      9.286543E+01          -1.746000E-03
      3.351179E+01          -5.520000E-03
      1.304180E+01          -1.492800E-02
      5.357536E+00          -3.420600E-02
      2.279338E+00          -6.215500E-02
      9.939900E-01          -9.590200E-02
Li    S
      4.334710E-01           1.000000E+00
Li    S
      9.556600E-02           1.000000E+00
Li    S
      4.465700E-02           1.000000E+00
Li    S
      2.063300E-02           1.000000E+00
Li    S
      6.100000E-03           1.0000000
Li    P
      1.966350E+01           5.400000E-04
      4.623110E+00           3.865000E-03
      1.413780E+00           1.517100E-02
      4.737210E-01           4.920400E-02
Li    P
      1.761510E-01           1.000000E+00
Li    P
      7.267500E-02           1.000000E+00
Li    P
      3.214100E-02           1.000000E+00
Li    P
      1.455600E-02           1.000000E+00
Li    P
      6.500000E-03           1.0000000
Li    D
      5.310000E-01           1.000000E+00
Li    D
      2.481000E-01           1.000000E+00
Li    D
      1.159000E-01           1.000000E+00
Li    D
      5.420000E-02           1.000000E+00
Li    D
      2.350000E-02           1.0000000
Li    F
      2.920000E-01           1.000000E+00
Li    F
      1.641000E-01           1.000000E+00
Li    F
      9.220000E-02           1.000000E+00
Li    F
      4.480000E-02           1.0000000
Li    G
      2.971000E-01           1.000000E+00
Li    G
      1.500000E-01           1.000000E+00
Li    G
      7.240000E-02           1.0000000
Li    H
      2.949000E-01           1.0000000
Li    H
      1.274000E-01           1.0000000
end
basis "Be_aug-cc-pV5Z" SPHERICAL 
#basis SET: (25s,9p,5d,4f,3g,2h) -> [7s,6p,5d,4f,3g,2h]
Be    S
      5.462000E+04           1.800000E-05
      8.180000E+03           1.380000E-04
      1.862000E+03           7.230000E-04
      5.273000E+02           3.039000E-03
      1.720000E+02           1.090800E-02
      6.210000E+01           3.403500E-02
      2.421000E+01           9.119300E-02
      9.993000E+00           1.992680E-01
      4.305000E+00           3.293550E-01
      1.921000E+00           3.404890E-01
Be    S
      5.462000E+04          -3.000000E-06
      8.180000E+03          -2.500000E-05
      1.862000E+03          -1.310000E-04
      5.273000E+02          -5.580000E-04
      1.720000E+02          -1.988000E-03
      6.210000E+01          -6.370000E-03
      2.421000E+01          -1.721700E-02
      9.993000E+00          -4.085800E-02
      4.305000E+00          -7.423700E-02
      1.921000E+00          -1.192340E-01
Be    S
      8.663000E-01           1.000000E+00
Be    S
      2.475000E-01           1.000000E+00
Be    S
      1.009000E-01           1.000000E+00
Be    S
      4.129000E-02           1.000000E+00
Be    S
      1.280000E-02           1.0000000
Be    P
      4.375000E+01           6.330000E-04
      1.033000E+01           4.808000E-03
      3.226000E+00           2.052700E-02
      1.127000E+00           6.781600E-02
Be    P
      4.334000E-01           1.000000E+00
Be    P
      1.808000E-01           1.000000E+00
Be    P
      7.827000E-02           1.000000E+00
Be    P
      3.372000E-02           1.000000E+00
Be    P
      7.600000E-03           1.0000000
Be    D
      1.717500E+00           1.000000E+00
Be    D
      7.646000E-01           1.000000E+00
Be    D
      3.404000E-01           1.000000E+00
Be    D
      1.515000E-01           1.000000E+00
Be    D
      4.280000E-02           1.0000000
Be    F
      6.127000E-01           1.000000E+00
Be    F
      3.568000E-01           1.000000E+00
Be    F
      2.078000E-01           1.000000E+00
Be    F
      7.190000E-02           1.0000000
Be    G
      5.980000E-01           1.000000E+00
Be    G
      3.183000E-01           1.000000E+00
Be    G
      9.790000E-02           1.0000000
Be    H
      5.142000E-01           1.0000000
Be    H
      2.033000E-01           1.0000000
end
basis "B_aug-cc-pV5Z" SPHERICAL 
#basis SET: (25s,9p,5d,4f,3g,2h) -> [7s,6p,5d,4f,3g,2h]
B    S
      6.826000E+04           2.400000E-05
      1.023000E+04           1.850000E-04
      2.328000E+03           9.700000E-04
      6.604000E+02           4.056000E-03
      2.162000E+02           1.439900E-02
      7.860000E+01           4.390100E-02
      3.098000E+01           1.130570E-01
      1.296000E+01           2.338250E-01
      5.659000E+00           3.539600E-01
      2.556000E+00           3.015470E-01
B    S
      6.826000E+04          -5.000000E-06
      1.023000E+04          -3.700000E-05
      2.328000E+03          -1.960000E-04
      6.604000E+02          -8.240000E-04
      2.162000E+02          -2.923000E-03
      7.860000E+01          -9.138000E-03
      3.098000E+01          -2.410500E-02
      1.296000E+01          -5.475500E-02
      5.659000E+00          -9.694300E-02
      2.556000E+00          -1.374850E-01
B    S
      1.175000E+00           1.000000E+00
B    S
      4.249000E-01           1.000000E+00
B    S
      1.712000E-01           1.000000E+00
B    S
      6.913000E-02           1.000000E+00
B    S
      0.0261000              1.0000000
B    P
      6.644000E+01           8.380000E-04
      1.571000E+01           6.409000E-03
      4.936000E+00           2.808100E-02
      1.770000E+00           9.215200E-02
B    P
      7.008000E-01           1.000000E+00
B    P
      2.901000E-01           1.000000E+00
B    P
      1.211000E-01           1.000000E+00
B    P
      4.973000E-02           1.000000E+00
B    P
      0.0157000              1.0000000
B    D
      2.010000E+00           1.000000E+00
B    D
      7.960000E-01           1.000000E+00
B    D
      3.160000E-01           1.000000E+00
B    D
      1.250000E-01           1.000000E+00
B    D
      0.0431000              1.0000000
B    F
      1.215000E+00           1.000000E+00
B    F
      5.250000E-01           1.000000E+00
B    F
      2.270000E-01           1.000000E+00
B    F
      0.0843000              1.0000000
B    G
      1.124000E+00           1.000000E+00
B    G
      4.610000E-01           1.000000E+00
B    G
      0.2020000              1.0000000
B    H
      8.340000E-01           1.0000000
B    H
      0.3840000              1.0000000
end
basis "C_aug-cc-pV5Z" SPHERICAL 
#basis SET: (25s,9p,5d,4f,3g,2h) -> [7s,6p,5d,4f,3g,2h]
C    S
      9.677000E+04           2.500000E-05
      1.450000E+04           1.900000E-04
      3.300000E+03           1.000000E-03
      9.358000E+02           4.183000E-03
      3.062000E+02           1.485900E-02
      1.113000E+02           4.530100E-02
      4.390000E+01           1.165040E-01
      1.840000E+01           2.402490E-01
      8.054000E+00           3.587990E-01
      3.637000E+00           2.939410E-01
C    S
      9.677000E+04          -5.000000E-06
      1.450000E+04          -4.100000E-05
      3.300000E+03          -2.130000E-04
      9.358000E+02          -8.970000E-04
      3.062000E+02          -3.187000E-03
      1.113000E+02          -9.961000E-03
      4.390000E+01          -2.637500E-02
      1.840000E+01          -6.000100E-02
      8.054000E+00          -1.068250E-01
      3.637000E+00          -1.441660E-01
C    S
      1.656000E+00           1.000000E+00
C    S
      6.333000E-01           1.000000E+00
C    S
      2.545000E-01           1.000000E+00
C    S
      1.019000E-01           1.000000E+00
C    S
      0.0394000              1.0000000
C    P
      1.018000E+02           8.910000E-04
      2.404000E+01           6.976000E-03
      7.571000E+00           3.166900E-02
      2.732000E+00           1.040060E-01
C    P
      1.085000E+00           1.000000E+00
C    P
      4.496000E-01           1.000000E+00
C    P
      1.876000E-01           1.000000E+00
C    P
      7.606000E-02           1.000000E+00
C    P
      0.0272000              1.0000000
C    D
      3.134000E+00           1.000000E+00
C    D
      1.233000E+00           1.000000E+00
C    D
      4.850000E-01           1.000000E+00
C    D
      1.910000E-01           1.000000E+00
C    D
      0.0701000              1.0000000
C    F
      2.006000E+00           1.000000E+00
C    F
      8.380000E-01           1.000000E+00
C    F
      3.500000E-01           1.000000E+00
C    F
      0.1380000              1.0000000
C    G
      1.753000E+00           1.000000E+00
C    G
      6.780000E-01           1.000000E+00
C    G
      0.3190000              1.0000000
C    H
      1.259000E+00           1.0000000
C    H
      0.5860000              1.0000000
end
basis "N_aug-cc-pV5Z" SPHERICAL 
#basis SET: (25s,9p,5d,4f,3g,2h) -> [7s,6p,5d,4f,3g,2h]
N    S
      1.292000E+05           2.500000E-05
      1.935000E+04           1.970000E-04
      4.404000E+03           1.032000E-03
      1.248000E+03           4.325000E-03
      4.080000E+02           1.538000E-02
      1.482000E+02           4.686700E-02
      5.850000E+01           1.201160E-01
      2.459000E+01           2.456950E-01
      1.081000E+01           3.613790E-01
      4.882000E+00           2.872830E-01
N    S
      1.292000E+05          -6.000000E-06
      1.935000E+04          -4.300000E-05
      4.404000E+03          -2.270000E-04
      1.248000E+03          -9.580000E-04
      4.080000E+02          -3.416000E-03
      1.482000E+02          -1.066700E-02
      5.850000E+01          -2.827900E-02
      2.459000E+01          -6.402000E-02
      1.081000E+01          -1.139320E-01
      4.882000E+00          -1.469950E-01
N    S
      2.195000E+00           1.000000E+00
N    S
      8.715000E-01           1.000000E+00
N    S
      3.504000E-01           1.000000E+00
N    S
      1.397000E-01           1.000000E+00
N    S
      0.0518000              1.0000000
N    P
      1.470000E+02           8.920000E-04
      3.476000E+01           7.082000E-03
      1.100000E+01           3.281600E-02
      3.995000E+00           1.082090E-01
N    P
      1.587000E+00           1.000000E+00
N    P
      6.533000E-01           1.000000E+00
N    P
      2.686000E-01           1.000000E+00
N    P
      1.067000E-01           1.000000E+00
N    P
      0.0369000              1.0000000
N    D
      4.647000E+00           1.000000E+00
N    D
      1.813000E+00           1.000000E+00
N    D
      7.070000E-01           1.000000E+00
N    D
      2.760000E-01           1.000000E+00
N    D
      0.0971000              1.0000000
N    F
      2.942000E+00           1.000000E+00
N    F
      1.204000E+00           1.000000E+00
N    F
      4.930000E-01           1.000000E+00
N    F
      0.1920000              1.0000000
N    G
      2.511000E+00           1.000000E+00
N    G
      9.420000E-01           1.000000E+00
N    G
      0.4360000              1.0000000
N    H
      1.768000E+00           1.0000000
N    H
      0.7880000              1.0000000
end
basis "O_aug-cc-pV5Z" SPHERICAL 
#basis SET: (25s,9p,5d,4f,3g,2h) -> [7s,6p,5d,4f,3g,2h]
O    S
      1.642000E+05           2.600000E-05
      2.459000E+04           2.050000E-04
      5.592000E+03           1.076000E-03
      1.582000E+03           4.522000E-03
      5.161000E+02           1.610800E-02
      1.872000E+02           4.908500E-02
      7.393000E+01           1.248570E-01
      3.122000E+01           2.516860E-01
      1.381000E+01           3.624200E-01
      6.256000E+00           2.790510E-01
O    S
      1.642000E+05          -6.000000E-06
      2.459000E+04          -4.600000E-05
      5.592000E+03          -2.440000E-04
      1.582000E+03          -1.031000E-03
      5.161000E+02          -3.688000E-03
      1.872000E+02          -1.151400E-02
      7.393000E+01          -3.043500E-02
      3.122000E+01          -6.814700E-02
      1.381000E+01          -1.203680E-01
      6.256000E+00          -1.482600E-01
O    S
      2.776000E+00           1.000000E+00
O    S
      1.138000E+00           1.000000E+00
O    S
      4.600000E-01           1.000000E+00
O    S
      1.829000E-01           1.000000E+00
O    S
      0.0655000              1.0000000
O    P
      1.955000E+02           9.180000E-04
      4.616000E+01           7.388000E-03
      1.458000E+01           3.495800E-02
      5.296000E+00           1.154310E-01
O    P
      2.094000E+00           1.000000E+00
O    P
      8.471000E-01           1.000000E+00
O    P
      3.368000E-01           1.000000E+00
O    P
      1.285000E-01           1.000000E+00
O    P
      0.0446000              1.0000000
O    D
      5.879000E+00           1.000000E+00
O    D
      2.307000E+00           1.000000E+00
O    D
      9.050000E-01           1.000000E+00
O    D
      3.550000E-01           1.000000E+00
O    D
      0.1310000              1.0000000
O    F
      4.016000E+00           1.000000E+00
O    F
      1.554000E+00           1.000000E+00
O    F
      6.010000E-01           1.000000E+00
O    F
      0.2370000              1.0000000
O    G
      3.350000E+00           1.000000E+00
O    G
      1.189000E+00           1.000000E+00
O    G
      0.5170000              1.0000000
O    H
      2.319000E+00           1.0000000
O    H
      1.0240000              1.0000000
end
basis "F_aug-cc-pV5Z" SPHERICAL 
#basis SET: (25s,9p,5d,4f,3g,2h) -> [7s,6p,5d,4f,3g,2h]
F    S
      2.114000E+05           2.600000E-05
      3.166000E+04           2.010000E-04
      7.202000E+03           1.056000E-03
      2.040000E+03           4.432000E-03
      6.664000E+02           1.576600E-02
      2.420000E+02           4.811200E-02
      9.553000E+01           1.232320E-01
      4.023000E+01           2.515190E-01
      1.772000E+01           3.645250E-01
      8.005000E+00           2.797660E-01
F    S
      2.114000E+05          -6.000000E-06
      3.166000E+04          -4.700000E-05
      7.202000E+03          -2.440000E-04
      2.040000E+03          -1.031000E-03
      6.664000E+02          -3.683000E-03
      2.420000E+02          -1.151300E-02
      9.553000E+01          -3.066300E-02
      4.023000E+01          -6.957200E-02
      1.772000E+01          -1.239920E-01
      8.005000E+00          -1.502140E-01
F    S
      3.538000E+00           1.000000E+00
F    S
      1.458000E+00           1.000000E+00
F    S
      5.887000E-01           1.000000E+00
F    S
      2.324000E-01           1.000000E+00
F    S
      0.0806000              1.0000000
F    P
      2.419000E+02           1.002000E-03
      5.717000E+01           8.054000E-03
      1.813000E+01           3.804800E-02
      6.624000E+00           1.237790E-01
F    P
      2.622000E+00           1.000000E+00
F    P
      1.057000E+00           1.000000E+00
F    P
      4.176000E-01           1.000000E+00
F    P
      1.574000E-01           1.000000E+00
F    P
      0.0550000              1.0000000
F    D
      7.760000E+00           1.000000E+00
F    D
      3.032000E+00           1.000000E+00
F    D
      1.185000E+00           1.000000E+00
F    D
      4.630000E-01           1.000000E+00
F    D
      0.1720000              1.0000000
F    F
      5.398000E+00           1.000000E+00
F    F
      2.078000E+00           1.000000E+00
F    F
      8.000000E-01           1.000000E+00
F    F
      0.3310000              1.0000000
F    G
      4.338000E+00           1.000000E+00
F    G
      1.513000E+00           1.000000E+00
F    G
      0.6630000              1.0000000
F    H
      2.995000E+00           1.0000000
F    H
      1.3260000              1.0000000
end
basis "Ne_aug-cc-pV5Z" SPHERICAL 
#basis SET: (25s,9p,5d,4f,3g,2h) -> [7s,6p,5d,4f,3g,2h]
Ne    S
      2.627000E+05           2.600000E-05
      3.935000E+04           2.000000E-04
      8.955000E+03           1.050000E-03
      2.538000E+03           4.400000E-03
      8.299000E+02           1.564900E-02
      3.015000E+02           4.775800E-02
      1.190000E+02           1.229430E-01
      5.000000E+01           2.524830E-01
      2.198000E+01           3.663140E-01
      9.891000E+00           2.796170E-01
Ne    S
      2.627000E+05          -6.000000E-06
      3.935000E+04          -4.700000E-05
      8.955000E+03          -2.470000E-04
      2.538000E+03          -1.038000E-03
      8.299000E+02          -3.711000E-03
      3.015000E+02          -1.159300E-02
      1.190000E+02          -3.108600E-02
      5.000000E+01          -7.097200E-02
      2.198000E+01          -1.272660E-01
      9.891000E+00          -1.512310E-01
Ne    S
      4.327000E+00           1.000000E+00
Ne    S
      1.804000E+00           1.000000E+00
Ne    S
      7.288000E-01           1.000000E+00
Ne    S
      2.867000E-01           1.000000E+00
Ne    S
      0.0957000              1.0000000
Ne    P
      2.991000E+02           1.038000E-03
      7.073000E+01           8.375000E-03
      2.248000E+01           3.969300E-02
      8.246000E+00           1.280560E-01
Ne    P
      3.269000E+00           1.000000E+00
Ne    P
      1.315000E+00           1.000000E+00
Ne    P
      5.158000E-01           1.000000E+00
Ne    P
      1.918000E-01           1.000000E+00
Ne    P
      0.0654000              1.0000000
Ne    D
      9.837000E+00           1.000000E+00
Ne    D
      3.844000E+00           1.000000E+00
Ne    D
      1.502000E+00           1.000000E+00
Ne    D
      5.870000E-01           1.000000E+00
Ne    D
      0.2130000              1.0000000
Ne    F
      7.090000E+00           1.000000E+00
Ne    F
      2.738000E+00           1.000000E+00
Ne    F
      1.057000E+00           1.000000E+00
Ne    F
      0.4250000              1.0000000
Ne    G
      5.460000E+00           1.000000E+00
Ne    G
      1.880000E+00           1.000000E+00
Ne    G
      0.8090000              1.0000000
Ne    H
      3.776000E+00           1.0000000
Ne    H
      1.6280000              1.0000000
end
basis "Na_aug-cc-pV5Z" SPHERICAL 
#basis SET: (52s,25p,5d,4f,3g,2h) -> [8s,7p,5d,4f,3g,2h]
Na    S
      2.185572E+06           2.000000E-06
      3.272284E+05           1.800000E-05
      7.446684E+04           9.500000E-05
      2.109315E+04           4.010000E-04
      6.881898E+03           1.459000E-03
      2.484696E+03           4.746000E-03
      9.692232E+02           1.403100E-02
      4.020643E+02           3.773300E-02
      1.753545E+02           9.070200E-02
      7.965199E+01           1.864660E-01
      3.738672E+01           3.018370E-01
      1.800194E+01           3.238300E-01
      8.724371E+00           1.687000E-01
      3.857715E+00           2.308300E-02
      1.815686E+00          -1.470000E-04
      8.382540E-01           1.099000E-03
Na    S
      2.185572E+06          -1.000000E-06
      3.272284E+05          -4.000000E-06
      7.446684E+04          -2.300000E-05
      2.109315E+04          -9.800000E-05
      6.881898E+03          -3.570000E-04
      2.484696E+03          -1.165000E-03
      9.692232E+02          -3.464000E-03
      4.020643E+02          -9.495000E-03
      1.753545E+02          -2.358700E-02
      7.965199E+01          -5.239400E-02
      3.738672E+01          -9.802800E-02
      1.800194E+01          -1.436730E-01
      8.724371E+00          -1.022980E-01
      3.857715E+00           1.380290E-01
      1.815686E+00           4.290060E-01
      8.382540E-01           4.478130E-01
Na    S
      3.272284E+05           1.000000E-06
      7.446684E+04           3.000000E-06
      2.109315E+04           1.500000E-05
      6.881898E+03           5.400000E-05
      2.484696E+03           1.750000E-04
      9.692232E+02           5.200000E-04
      4.020643E+02           1.431000E-03
      1.753545E+02           3.554000E-03
      7.965199E+01           7.954000E-03
      3.738672E+01           1.495500E-02
      1.800194E+01           2.247200E-02
      8.724371E+00           1.620500E-02
      3.857715E+00          -2.355000E-02
      1.815686E+00          -8.012000E-02
      8.382540E-01          -1.129210E-01
Na    S
      3.819350E-01           1.000000E+00
Na    S
      7.167900E-02           1.000000E+00
Na    S
      3.391600E-02           1.000000E+00
Na    S
      1.652500E-02           1.000000E+00
Na    S
      5.100000E-03           1.0000000
Na    P
      1.119578E+03           1.620000E-04
      2.653239E+02           1.408000E-03
      8.599553E+01           7.586000E-03
      3.253759E+01           2.961500E-02
      1.351565E+01           8.847700E-02
      5.966856E+00           1.955190E-01
      2.700045E+00           3.066210E-01
      1.218512E+00           3.412420E-01
      5.421870E-01           2.296900E-01
      2.274130E-01           5.492100E-02
Na    P
      1.119578E+03          -1.600000E-05
      2.653239E+02          -1.400000E-04
      8.599553E+01          -7.540000E-04
      3.253759E+01          -2.968000E-03
      1.351565E+01          -8.919000E-03
      5.966856E+00          -2.002900E-02
      2.700045E+00          -3.138000E-02
      1.218512E+00          -3.648900E-02
      5.421870E-01          -2.962500E-02
      2.274130E-01          -1.014600E-02
Na    P
      1.330400E-01           1.000000E+00
Na    P
      5.757700E-02           1.000000E+00
Na    P
      2.597100E-02           1.000000E+00
Na    P
      1.190100E-02           1.000000E+00
Na    P
      5.500000E-03           1.0000000
Na    D
      4.898000E-01           1.000000E+00
Na    D
      2.283000E-01           1.000000E+00
Na    D
      1.064000E-01           1.000000E+00
Na    D
      4.960000E-02           1.000000E+00
Na    D
      2.290000E-02           1.0000000
Na    F
      2.493000E-01           1.000000E+00
Na    F
      1.357000E-01           1.000000E+00
Na    F
      7.390000E-02           1.000000E+00
Na    F
      4.140000E-02           1.0000000
Na    G
      2.318000E-01           1.000000E+00
Na    G
      1.222000E-01           1.000000E+00
Na    G
      7.320000E-02           1.0000000
Na    H
      2.240000E-01           1.0000000
Na    H
      1.048000E-01           1.0000000
end
basis "Mg_aug-cc-pV5Z" SPHERICAL 
#basis SET: (53s,25p,5d,4f,3g,2h) -> [8s,7p,5d,4f,3g,2h]
Mg    S
      2.968000E+06           1.971770E-06
      4.443000E+05           1.533620E-05
      1.011000E+05           8.068520E-05
      2.864000E+04           3.407710E-04
      9.343000E+03           1.241940E-03
      3.373000E+03           4.041240E-03
      1.316000E+03           1.197970E-02
      5.458000E+02           3.242530E-02
      2.381000E+02           7.893320E-02
      1.082000E+02           1.665750E-01
      5.080000E+01           2.828710E-01
      2.448000E+01           3.318900E-01
      1.193000E+01           2.032870E-01
      5.543000E+00           3.828970E-02
      2.675000E+00           3.089160E-04
      1.263000E+00           1.389070E-03
Mg    S
      2.968000E+06          -4.981600E-07
      4.443000E+05          -3.875630E-06
      1.011000E+05          -2.038540E-05
      2.864000E+04          -8.616590E-05
      9.343000E+03          -3.141760E-04
      3.373000E+03          -1.025770E-03
      1.316000E+03          -3.058160E-03
      5.458000E+02          -8.410630E-03
      2.381000E+02          -2.112020E-02
      1.082000E+02          -4.768820E-02
      5.080000E+01          -9.241190E-02
      2.448000E+01          -1.425480E-01
      1.193000E+01          -1.261680E-01
      5.543000E+00           7.152820E-02
      2.675000E+00           3.830390E-01
      1.263000E+00           4.901330E-01
Mg    S
      2.968000E+06           9.601750E-08
      4.443000E+05           7.461640E-07
      1.011000E+05           3.931190E-06
      2.864000E+04           1.658120E-05
      9.343000E+03           6.062570E-05
      3.373000E+03           1.973220E-04
      1.316000E+03           5.908810E-04
      5.458000E+02           1.619040E-03
      2.381000E+02           4.097560E-03
      1.082000E+02           9.229890E-03
      5.080000E+01           1.821680E-02
      2.448000E+01           2.828840E-02
      1.193000E+01           2.650590E-02
      5.543000E+00          -1.720530E-02
      2.675000E+00          -8.859170E-02
      1.263000E+00          -1.638710E-01
Mg    S
      5.883000E-01           1.000000E+00
Mg    S
      1.496000E-01           1.000000E+00
Mg    S
      6.700000E-02           1.000000E+00
Mg    S
      2.952000E-02           1.000000E+00
Mg    S
      1.080000E-02           1.0000000
Mg    P
      1.441000E+03           1.524070E-04
      3.414000E+02           1.327640E-03
      1.107000E+02           7.219370E-03
      4.197000E+01           2.852050E-02
      1.749000E+01           8.653460E-02
      7.753000E+00           1.949500E-01
      3.534000E+00           3.120510E-01
      1.614000E+00           3.484760E-01
      7.299000E-01           2.188860E-01
      3.029000E-01           4.355790E-02
Mg    P
      1.441000E+03          -2.410310E-05
      3.414000E+02          -2.108090E-04
      1.107000E+02          -1.145300E-03
      4.197000E+01          -4.564170E-03
      1.749000E+01          -1.396030E-02
      7.753000E+00          -3.211050E-02
      3.534000E+00          -5.162170E-02
      1.614000E+00          -6.137130E-02
      7.299000E-01          -4.424650E-02
      3.029000E-01           5.231910E-02
Mg    P
      1.583000E-01           1.000000E+00
Mg    P
      8.190000E-02           1.000000E+00
Mg    P
      4.123000E-02           1.000000E+00
Mg    P
      1.988000E-02           1.000000E+00
Mg    P
      7.100000E-03           1.0000000
Mg    D
      1.083700E+00           1.000000E+00
Mg    D
      4.968000E-01           1.000000E+00
Mg    D
      2.278000E-01           1.000000E+00
Mg    D
      1.044000E-01           1.000000E+00
Mg    D
      3.710000E-02           1.0000000
Mg    F
      4.917000E-01           1.000000E+00
Mg    F
      2.764000E-01           1.000000E+00
Mg    F
      1.554000E-01           1.000000E+00
Mg    F
      5.790000E-02           1.0000000
Mg    G
      4.427000E-01           1.000000E+00
Mg    G
      2.311000E-01           1.000000E+00
Mg    G
      9.470000E-02           1.0000000
Mg    H
      3.731000E-01           1.0000000
Mg    H
      1.577000E-01           1.0000000
end
basis "Al_aug-cc-pV5Z" SPHERICAL 
#basis SET: (53s,21p,5d,4f,3g,2h) -> [8s,7p,5d,4f,3g,2h]
Al    S
      3.269000E+06           2.139620E-06
      4.894000E+05           1.662640E-05
      1.114000E+05           8.751680E-05
      3.156000E+04           3.689900E-04
      1.032000E+04           1.339030E-03
      3.731000E+03           4.356360E-03
      1.456000E+03           1.289550E-02
      6.041000E+02           3.482010E-02
      2.635000E+02           8.435300E-02
      1.198000E+02           1.759070E-01
      5.632000E+01           2.920910E-01
      2.719000E+01           3.282200E-01
      1.326000E+01           1.869270E-01
      6.052000E+00           3.104300E-02
      2.981000E+00          -5.089220E-04
      1.476000E+00           1.488360E-03
Al    S
      3.269000E+06          -5.560260E-07
      4.894000E+05          -4.323030E-06
      1.114000E+05          -2.274130E-05
      3.156000E+04          -9.601160E-05
      1.032000E+04          -3.483760E-04
      3.731000E+03          -1.138360E-03
      1.456000E+03          -3.387440E-03
      6.041000E+02          -9.315050E-03
      2.635000E+02          -2.330230E-02
      1.198000E+02          -5.234860E-02
      5.632000E+01          -9.994990E-02
      2.719000E+01          -1.505600E-01
      1.326000E+01          -1.191210E-01
      6.052000E+00           1.080910E-01
      2.981000E+00           4.111290E-01
      1.476000E+00           4.572140E-01
Al    S
      3.269000E+06           1.284230E-07
      4.894000E+05           9.975140E-07
      1.114000E+05           5.254800E-06
      3.156000E+04           2.214500E-05
      1.032000E+04           8.054640E-05
      3.731000E+03           2.625060E-04
      1.456000E+03           7.842200E-04
      6.041000E+02           2.150390E-03
      2.635000E+02           5.419740E-03
      1.198000E+02           1.216860E-02
      5.632000E+01           2.368230E-02
      2.719000E+01           3.609370E-02
      1.326000E+01           3.032840E-02
      6.052000E+00          -3.090340E-02
      2.981000E+00          -1.191260E-01
      1.476000E+00          -2.111450E-01
Al    S
      7.334000E-01           1.000000E+00
Al    S
      2.447000E-01           1.000000E+00
Al    S
      1.088000E-01           1.000000E+00
Al    S
      4.672000E-02           1.000000E+00
Al    S
      0.0177000              1.0000000
Al    P
      1.461000E+03           2.086130E-04
      3.462000E+02           1.810050E-03
      1.122000E+02           9.734330E-03
      4.251000E+01           3.782660E-02
      1.772000E+01           1.108980E-01
      7.852000E+00           2.342950E-01
      3.571000E+00           3.452450E-01
      1.637000E+00           3.314300E-01
Al    P
      1.461000E+03          -3.719470E-05
      3.462000E+02          -3.285630E-04
      1.122000E+02          -1.742640E-03
      4.251000E+01          -6.948280E-03
      1.772000E+01          -2.028070E-02
      7.852000E+00          -4.486570E-02
      3.571000E+00          -6.432780E-02
      1.637000E+00          -7.526660E-02
Al    P
      7.382000E-01           1.000000E+00
Al    P
      2.577000E-01           1.000000E+00
Al    P
      9.773000E-02           1.000000E+00
Al    P
      3.690000E-02           1.000000E+00
Al    P
      0.0115000              1.0000000
Al    D
      1.317000E+00           1.000000E+00
Al    D
      5.260000E-01           1.000000E+00
Al    D
      2.100000E-01           1.000000E+00
Al    D
      8.400000E-02           1.000000E+00
Al    D
      0.0294000              1.0000000
Al    F
      5.130000E-01           1.000000E+00
Al    F
      2.580000E-01           1.000000E+00
Al    F
      1.300000E-01           1.000000E+00
Al    F
      0.0509000              1.0000000
Al    G
      5.430000E-01           1.000000E+00
Al    G
      2.520000E-01           1.000000E+00
Al    G
      0.1069000              1.0000000
Al    H
      4.460000E-01           1.0000000
Al    H
      0.2270000              1.0000000
end
basis "Si_aug-cc-pV5Z" SPHERICAL 
#basis SET: (53s,21p,5d,4f,3g,2h) -> [8s,7p,5d,4f,3g,2h]
Si    S
      3.948000E+06           2.037120E-06
      5.911000E+05           1.583940E-05
      1.345000E+05           8.335900E-05
      3.812000E+04           3.513610E-04
      1.246000E+04           1.276600E-03
      4.504000E+03           4.151910E-03
      1.758000E+03           1.230300E-02
      7.291000E+02           3.331020E-02
      3.180000E+02           8.098450E-02
      1.446000E+02           1.702900E-01
      6.797000E+01           2.868790E-01
      3.282000E+01           3.303400E-01
      1.603000E+01           1.966020E-01
      7.396000E+00           3.545350E-02
      3.661000E+00          -5.352040E-04
      1.823000E+00           1.614650E-03
Si    S
      3.948000E+06          -5.420850E-07
      5.911000E+05          -4.216770E-06
      1.345000E+05          -2.218130E-05
      3.812000E+04          -9.360280E-05
      1.246000E+04          -3.401160E-04
      4.504000E+03          -1.110610E-03
      1.758000E+03          -3.308780E-03
      7.291000E+02          -9.116020E-03
      3.180000E+02          -2.287900E-02
      1.446000E+02          -5.171190E-02
      6.797000E+01          -9.990910E-02
      3.282000E+01          -1.527470E-01
      1.603000E+01          -1.275080E-01
      7.396000E+00           9.469630E-02
      3.661000E+00           4.140360E-01
      1.823000E+00           4.679340E-01
Si    S
      3.948000E+06           1.389070E-07
      5.911000E+05           1.079530E-06
      1.345000E+05           5.686280E-06
      3.812000E+04           2.395370E-05
      1.246000E+04           8.724090E-05
      4.504000E+03           2.841630E-04
      1.758000E+03           8.498400E-04
      7.291000E+02           2.335270E-03
      3.180000E+02           5.904660E-03
      1.446000E+02           1.334610E-02
      6.797000E+01           2.628890E-02
      3.282000E+01           4.074260E-02
      1.603000E+01           3.614760E-02
      7.396000E+00          -3.039230E-02
      3.661000E+00          -1.359610E-01
      1.823000E+00          -2.501440E-01
Si    S
      9.147000E-01           1.000000E+00
Si    S
      3.393000E-01           1.000000E+00
Si    S
      1.500000E-01           1.000000E+00
Si    S
      6.438000E-02           1.000000E+00
Si    S
      0.0260000              1.0000000
Si    P
      1.780000E+03           2.012060E-04
      4.218000E+02           1.749370E-03
      1.367000E+02           9.481410E-03
      5.181000E+01           3.723130E-02
      2.160000E+01           1.107630E-01
      9.563000E+00           2.379330E-01
      4.350000E+00           3.536910E-01
      2.006000E+00           3.288390E-01
Si    P
      1.780000E+03          -4.271520E-05
      4.218000E+02          -3.770390E-04
      1.367000E+02          -2.022400E-03
      5.181000E+01          -8.128330E-03
      2.160000E+01          -2.422720E-02
      9.563000E+00          -5.438250E-02
      4.350000E+00          -7.990510E-02
      2.006000E+00          -8.889580E-02
Si    P
      9.205000E-01           1.000000E+00
Si    P
      3.500000E-01           1.000000E+00
Si    P
      1.381000E-01           1.000000E+00
Si    P
      5.338000E-02           1.000000E+00
Si    P
      0.0192000              1.0000000
Si    D
      2.082000E+00           1.000000E+00
Si    D
      8.170000E-01           1.000000E+00
Si    D
      3.210000E-01           1.000000E+00
Si    D
      1.260000E-01           1.000000E+00
Si    D
      0.0468000              1.0000000
Si    F
      6.880000E-01           1.000000E+00
Si    F
      3.410000E-01           1.000000E+00
Si    F
      1.690000E-01           1.000000E+00
Si    F
      0.0735000              1.0000000
Si    G
      7.050000E-01           1.000000E+00
Si    G
      3.200000E-01           1.000000E+00
Si    G
      0.1510000              1.0000000
Si    H
      5.830000E-01           1.0000000
Si    H
      0.3230000              1.0000000
end
basis "P_aug-cc-pV5Z" SPHERICAL 
#basis SET: (53s,21p,5d,4f,3g,2h) -> [8s,7p,5d,4f,3g,2h]
P    S
      4.666000E+06           1.967590E-06
      6.986000E+05           1.529630E-05
      1.590000E+05           8.048260E-05
      4.504000E+04           3.397370E-04
      1.472000E+04           1.232910E-03
      5.323000E+03           4.013450E-03
      2.076000E+03           1.191240E-02
      8.611000E+02           3.225110E-02
      3.757000E+02           7.866430E-02
      1.708000E+02           1.664580E-01
      8.029000E+01           2.830390E-01
      3.877000E+01           3.319420E-01
      1.893000E+01           2.033520E-01
      8.796000E+00           3.831830E-02
      4.358000E+00          -3.847200E-04
      2.174000E+00           1.587440E-03
P    S
      4.666000E+06          -5.341530E-07
      6.986000E+05          -4.154220E-06
      1.590000E+05          -2.184840E-05
      4.504000E+04          -9.232720E-05
      1.472000E+04          -3.351090E-04
      5.323000E+03          -1.095080E-03
      2.076000E+03          -3.267980E-03
      8.611000E+02          -8.999510E-03
      3.757000E+02          -2.265280E-02
      1.708000E+02          -5.146500E-02
      8.029000E+01          -1.001860E-01
      3.877000E+01          -1.550750E-01
      1.893000E+01          -1.338180E-01
      8.796000E+00           8.783610E-02
      4.358000E+00           4.225810E-01
      2.174000E+00           4.748990E-01
P    S
      4.666000E+06           1.467760E-07
      6.986000E+05           1.140640E-06
      1.590000E+05           6.005680E-06
      4.504000E+04           2.534270E-05
      1.472000E+04           9.216060E-05
      5.323000E+03           3.005630E-04
      2.076000E+03           8.998840E-04
      8.611000E+02           2.473540E-03
      3.757000E+02           6.268120E-03
      1.708000E+02           1.425980E-02
      8.029000E+01           2.827690E-02
      3.877000E+01           4.451240E-02
      1.893000E+01           4.072170E-02
      8.796000E+00          -3.019080E-02
      4.358000E+00          -1.528940E-01
      2.174000E+00          -2.824110E-01
P    S
      1.095000E+00           1.000000E+00
P    S
      4.400000E-01           1.000000E+00
P    S
      1.945000E-01           1.000000E+00
P    S
      8.376000E-02           1.000000E+00
P    S
      0.0335000              1.0000000
P    P
      2.010000E+03           2.159150E-04
      4.763000E+02           1.875360E-03
      1.544000E+02           1.017420E-02
      5.851000E+01           3.998560E-02
      2.440000E+01           1.185630E-01
      1.080000E+01           2.518160E-01
      4.913000E+00           3.665650E-01
      2.269000E+00           3.161770E-01
P    P
      2.010000E+03          -5.114440E-05
      4.763000E+02          -4.483560E-04
      1.544000E+02          -2.423400E-03
      5.851000E+01          -9.698260E-03
      2.440000E+01          -2.909650E-02
      1.080000E+01          -6.417260E-02
      4.913000E+00          -9.450710E-02
      2.269000E+00          -9.347000E-02
P    P
      1.043000E+00           1.000000E+00
P    P
      4.313000E-01           1.000000E+00
P    P
      1.767000E-01           1.000000E+00
P    P
      7.009000E-02           1.000000E+00
P    P
      0.0253000              1.0000000
P    D
      2.656000E+00           1.000000E+00
P    D
      1.054000E+00           1.000000E+00
P    D
      4.180000E-01           1.000000E+00
P    D
      1.660000E-01           1.000000E+00
P    D
      0.0624000              1.0000000
P    F
      9.230000E-01           1.000000E+00
P    F
      4.500000E-01           1.000000E+00
P    F
      2.190000E-01           1.000000E+00
P    F
      0.0950000              1.0000000
P    G
      9.030000E-01           1.000000E+00
P    G
      4.120000E-01           1.000000E+00
P    G
      0.1840000              1.0000000
P    H
      7.450000E-01           1.0000000
P    H
      0.3720000              1.0000000
end
basis "S_aug-cc-pV5Z" SPHERICAL 
#basis SET: (53s,21p,5d,4f,3g,2h) -> [8s,7p,5d,4f,3g,2h]
S    S
      5.481000E+06           1.893380E-06
      8.206000E+05           1.472110E-05
      1.867000E+05           7.750840E-05
      5.288000E+04           3.272240E-04
      1.725000E+04           1.193650E-03
      6.226000E+03           3.883930E-03
      2.429000E+03           1.153360E-02
      1.007000E+03           3.127480E-02
      4.395000E+02           7.643870E-02
      1.998000E+02           1.627000E-01
      9.392000E+01           2.793280E-01
      4.534000E+01           3.331450E-01
      2.215000E+01           2.098360E-01
      1.034000E+01           4.159740E-02
      5.119000E+00          -4.505520E-04
      2.553000E+00           1.688550E-03
S    S
      5.481000E+06          -5.229120E-07
      8.206000E+05          -4.066900E-06
      1.867000E+05          -2.140650E-05
      5.288000E+04          -9.045400E-05
      1.725000E+04          -3.300800E-04
      6.226000E+03          -1.077820E-03
      2.429000E+03          -3.218740E-03
      1.007000E+03          -8.872170E-03
      4.395000E+02          -2.237710E-02
      1.998000E+02          -5.105770E-02
      9.392000E+01          -1.002250E-01
      4.534000E+01          -1.567950E-01
      2.215000E+01          -1.397480E-01
      1.034000E+01           8.100590E-02
      5.119000E+00           4.308830E-01
      2.553000E+00           4.816880E-01
S    S
      5.481000E+06           1.518230E-07
      8.206000E+05           1.180080E-06
      1.867000E+05           6.216990E-06
      5.288000E+04           2.624050E-05
      1.725000E+04           9.590400E-05
      6.226000E+03           3.126780E-04
      2.429000E+03           9.363220E-04
      1.007000E+03           2.577900E-03
      4.395000E+02           6.541210E-03
      1.998000E+02           1.496300E-02
      9.392000E+01           2.989400E-02
      4.534000E+01           4.769460E-02
      2.215000E+01           4.495560E-02
      1.034000E+01          -2.930090E-02
      5.119000E+00          -1.689160E-01
      2.553000E+00          -3.110140E-01
S    S
      1.282000E+00           1.000000E+00
S    S
      5.450000E-01           1.000000E+00
S    S
      2.411000E-01           1.000000E+00
S    S
      1.035000E-01           1.000000E+00
S    S
      0.0420000              1.0000000
S    P
      2.200000E+03           2.390490E-04
      5.214000E+02           2.076860E-03
      1.690000E+02           1.123630E-02
      6.405000E+01           4.406900E-02
      2.672000E+01           1.291680E-01
      1.183000E+01           2.690830E-01
      5.378000E+00           3.786110E-01
      2.482000E+00           2.967790E-01
S    P
      2.200000E+03          -6.085620E-05
      5.214000E+02          -5.304190E-04
      1.690000E+02          -2.879150E-03
      6.405000E+01          -1.143970E-02
      2.672000E+01          -3.427640E-02
      1.183000E+01          -7.358110E-02
      5.378000E+00          -1.077820E-01
      2.482000E+00          -8.797690E-02
S    P
      1.116000E+00           1.000000E+00
S    P
      4.848000E-01           1.000000E+00
S    P
      2.006000E-01           1.000000E+00
S    P
      7.951000E-02           1.000000E+00
S    P
      0.0294000              1.0000000
S    D
      3.203000E+00           1.000000E+00
S    D
      1.281000E+00           1.000000E+00
S    D
      5.120000E-01           1.000000E+00
S    D
      2.050000E-01           1.000000E+00
S    D
      0.0794000              1.0000000
S    F
      1.096000E+00           1.000000E+00
S    F
      5.290000E-01           1.000000E+00
S    F
      2.550000E-01           1.000000E+00
S    F
      0.1188000              1.0000000
S    G
      1.071000E+00           1.000000E+00
S    G
      4.630000E-01           1.000000E+00
S    G
      0.2200000              1.0000000
S    H
      8.720000E-01           1.0000000
S    H
      0.4720000              1.0000000
end
basis "Cl_aug-cc-pV5Z" SPHERICAL 
#basis SET: (53s,21p,5d,4f,3g,2h) -> [8s,7p,5d,4f,3g,2h]
Cl    S
      6.410000E+06           1.813500E-06
      9.596000E+05           1.411180E-05
      2.183000E+05           7.424060E-05
      6.181000E+04           3.141310E-04
      2.014000E+04           1.146420E-03
      7.264000E+03           3.738880E-03
      2.832000E+03           1.109460E-02
      1.175000E+03           3.011520E-02
      5.126000E+02           7.391450E-02
      2.330000E+02           1.582580E-01
      1.095000E+02           2.747530E-01
      5.286000E+01           3.340660E-01
      2.584000E+01           2.175890E-01
      1.217000E+01           4.572780E-02
      6.030000E+00          -1.347390E-04
      3.012000E+00           1.639330E-03
Cl    S
      6.410000E+06          -5.083030E-07
      9.596000E+05          -3.956330E-06
      2.183000E+05          -2.080950E-05
      6.181000E+04          -8.811750E-05
      2.014000E+04          -3.217420E-04
      7.264000E+03          -1.052770E-03
      2.832000E+03          -3.141830E-03
      1.175000E+03          -8.663630E-03
      5.126000E+02          -2.193530E-02
      2.330000E+02          -5.025840E-02
      1.095000E+02          -9.954140E-02
      5.286000E+01          -1.576470E-01
      2.584000E+01          -1.460240E-01
      1.217000E+01           6.922300E-02
      6.030000E+00           4.304120E-01
      3.012000E+00           4.908020E-01
Cl    S
      6.410000E+06           1.538080E-07
      9.596000E+05           1.196540E-06
      2.183000E+05           6.298280E-06
      6.181000E+04           2.664500E-05
      2.014000E+04           9.741620E-05
      7.264000E+03           3.183600E-04
      2.832000E+03           9.523770E-04
      1.175000E+03           2.624300E-03
      5.126000E+02           6.681600E-03
      2.330000E+02           1.535950E-02
      1.095000E+02           3.094320E-02
      5.286000E+01           5.006380E-02
      2.584000E+01           4.897820E-02
      1.217000E+01          -2.608070E-02
      6.030000E+00          -1.784260E-01
      3.012000E+00          -3.323240E-01
Cl    S
      1.511000E+00           1.000000E+00
Cl    S
      6.604000E-01           1.000000E+00
Cl    S
      2.926000E-01           1.000000E+00
Cl    S
      1.254000E-01           1.000000E+00
Cl    S
      0.0479000              1.0000000
Cl    P
      2.548000E+03           2.357020E-04
      6.037000E+02           2.051580E-03
      1.956000E+02           1.115430E-02
      7.415000E+01           4.398160E-02
      3.094000E+01           1.299940E-01
      1.369000E+01           2.729590E-01
      6.229000E+00           3.836900E-01
      2.878000E+00           2.918700E-01
Cl    P
      2.548000E+03          -6.354100E-05
      6.037000E+02          -5.532590E-04
      1.956000E+02          -3.027950E-03
      7.415000E+01          -1.206500E-02
      3.094000E+01          -3.663480E-02
      1.369000E+01          -7.907640E-02
      6.229000E+00          -1.174220E-01
      2.878000E+00          -8.609430E-02
Cl    P
      1.282000E+00           1.000000E+00
Cl    P
      5.641000E-01           1.000000E+00
Cl    P
      2.348000E-01           1.000000E+00
Cl    P
      9.312000E-02           1.000000E+00
Cl    P
      0.0348000              1.0000000
Cl    D
      3.781000E+00           1.000000E+00
Cl    D
      1.529000E+00           1.000000E+00
Cl    D
      6.180000E-01           1.000000E+00
Cl    D
      2.500000E-01           1.000000E+00
Cl    D
      0.1003000              1.0000000
Cl    F
      1.345000E+00           1.000000E+00
Cl    F
      6.560000E-01           1.000000E+00
Cl    F
      3.200000E-01           1.000000E+00
Cl    F
      0.1640000              1.0000000
Cl    G
      1.302000E+00           1.000000E+00
Cl    G
      5.560000E-01           1.000000E+00
Cl    G
      0.2770000              1.0000000
Cl    H
      1.053000E+00           1.0000000
Cl    H
      0.6070000              1.0000000
end
basis "Ar_aug-cc-pV5Z" SPHERICAL 
#basis SET: (53s,21p,5d,4f,3g,2h) -> [8s,7p,5d,4f,3g,2h]
Ar    S
      7.401000E+06           1.750000E-06
      1.108000E+06           1.361000E-05
      2.521000E+05           7.163000E-05
      7.138000E+04           3.030300E-04
      2.326000E+04           1.106080E-03
      8.390000E+03           3.606710E-03
      3.271000E+03           1.071321E-02
      1.357000E+03           2.910677E-02
      5.920000E+02           7.166011E-02
      2.691000E+02           1.541405E-01
      1.265000E+02           2.704171E-01
      6.103000E+01           3.348547E-01
      2.986000E+01           2.243463E-01
      1.417000E+01           5.000284E-02
      7.022000E+00           6.459000E-05
      3.511000E+00           1.686410E-03
Ar    S
      7.401000E+06          -5.000000E-07
      1.108000E+06          -3.870000E-06
      2.521000E+05          -2.034000E-05
      7.138000E+04          -8.609000E-05
      2.326000E+04          -3.144400E-04
      8.390000E+03          -1.028410E-03
      3.271000E+03          -3.072670E-03
      1.357000E+03          -8.475320E-03
      5.920000E+02          -2.152008E-02
      2.691000E+02          -4.944932E-02
      1.265000E+02          -9.877592E-02
      6.103000E+01          -1.583082E-01
      2.986000E+01          -1.514030E-01
      1.417000E+01           5.824264E-02
      7.022000E+00           4.293830E-01
      3.511000E+00           4.990888E-01
Ar    S
      7.401000E+06           1.600000E-07
      1.108000E+06           1.210000E-06
      2.521000E+05           6.360000E-06
      7.138000E+04           2.689000E-05
      2.326000E+04           9.834000E-05
      8.390000E+03           3.212900E-04
      3.271000E+03           9.620000E-04
      1.357000E+03           2.652450E-03
      5.920000E+02           6.770350E-03
      2.691000E+02           1.561727E-02
      1.265000E+02           3.171666E-02
      6.103000E+01           5.199742E-02
      2.986000E+01           5.247514E-02
      1.417000E+01          -2.264147E-02
      7.022000E+00          -1.860623E-01
      3.511000E+00          -3.501455E-01
Ar    S
      1.758000E+00           1.000000E+00
Ar    S
      7.841000E-01           1.000000E+00
Ar    S
      3.480000E-01           1.000000E+00
Ar    S
      1.491000E-01           1.000000E+00
Ar    S
      0.0538000              1.0000000
Ar    P
      2.927000E+03          -6.491000E-05
      6.935000E+02          -5.653100E-04
      2.247000E+02          -3.109880E-03
      8.517000E+01          -1.246964E-02
      3.553000E+01          -3.822465E-02
      1.573000E+01          -8.307918E-02
      7.165000E+00          -1.245941E-01
      3.322000E+00          -8.329713E-02
Ar    P
      2.927000E+03           2.319900E-04
      6.935000E+02           2.023290E-03
      2.247000E+02           1.103401E-02
      8.517000E+01           4.383970E-02
      3.553000E+01           1.303590E-01
      1.573000E+01           2.757499E-01
      7.165000E+00           3.876433E-01
      3.322000E+00           2.874074E-01
Ar    P
      1.478000E+00           1.000000E+00
Ar    P
      6.552000E-01           1.000000E+00
Ar    P
      2.751000E-01           1.000000E+00
Ar    P
      1.097000E-01           1.000000E+00
Ar    P
      0.0402000              1.0000000
Ar    D
      4.776000E+00           1.000000E+00
Ar    D
      1.917000E+00           1.000000E+00
Ar    D
      7.700000E-01           1.000000E+00
Ar    D
      3.090000E-01           1.000000E+00
Ar    D
      0.1210000              1.0000000
Ar    F
      1.668000E+00           1.000000E+00
Ar    F
      8.250000E-01           1.000000E+00
Ar    F
      4.080000E-01           1.000000E+00
Ar    F
      0.2090000              1.0000000
Ar    G
      1.562000E+00           1.000000E+00
Ar    G
      6.650000E-01           1.000000E+00
Ar    G
      0.3340000              1.0000000
Ar    H
      1.264000E+00           1.0000000
Ar    H
      0.7420000              1.0000000
end
basis "Sc_aug-cc-pV5Z" SPHERICAL 
#basis SET: (218s,131p,57d,5f,4g,3h,2i) -> [10s,9p,7d,5f,4g,3h,2i]
Sc    S
      1.194950E+08           6.485949E-08
      2.149920E+07           4.284789E-07
      4.807030E+06           2.485007E-06
      1.284400E+06           1.142200E-05
      3.965950E+05           4.446960E-05
      1.375750E+05           1.513206E-04
      5.236680E+04           4.641311E-04
      2.145490E+04           1.311834E-03
      9.316060E+03           3.474539E-03
      4.235400E+03           8.703081E-03
      1.997440E+03           2.066048E-02
      9.704300E+02           4.605121E-02
      4.832710E+02           9.414403E-02
      2.458060E+02           1.684787E-01
      1.273600E+02           2.427557E-01
      6.707880E+01           2.400019E-01
      3.583710E+01           1.296899E-01
      1.937130E+01           5.179276E-02
      1.055710E+01           8.932598E-02
      5.772490E+00           1.143741E-01
      3.145400E+00           5.378437E-02
      1.692490E+00           7.075763E-03
      8.886490E-01           4.599282E-04
      4.710930E-01          -4.575677E-05
      2.492860E-01           1.697886E-05
      9.998800E-02          -4.762361E-06
      4.636900E-02           1.150180E-05
Sc    S
      1.194950E+08          -3.759394E-08
      2.149920E+07          -2.483745E-07
      4.807030E+06          -1.440342E-06
      1.284400E+06          -6.621203E-06
      3.965950E+05          -2.577627E-05
      1.375750E+05          -8.773842E-05
      5.236680E+04          -2.691491E-04
      2.145490E+04          -7.615431E-04
      9.316060E+03          -2.020037E-03
      4.235400E+03          -5.080893E-03
      1.997440E+03          -1.215118E-02
      9.704300E+02          -2.752281E-02
      4.832710E+02          -5.797250E-02
      2.458060E+02          -1.101259E-01
      1.273600E+02          -1.781088E-01
      6.707880E+01          -2.198344E-01
      3.583710E+01          -1.529949E-01
      1.937130E+01           5.678122E-02
      1.055710E+01           3.530772E-01
      5.772490E+00           4.663403E-01
      3.145400E+00           2.199163E-01
      1.692490E+00           2.889190E-02
      8.886490E-01           7.763282E-04
      4.710930E-01          -8.474216E-04
      2.492860E-01          -1.233881E-04
      9.998800E-02          -1.245485E-05
      4.636900E-02           3.906270E-05
Sc    S
      1.194950E+08           7.277775E-09
      2.149920E+07           4.808602E-08
      4.807030E+06           2.788306E-07
      1.284400E+06           1.281931E-06
      3.965950E+05           4.990129E-06
      1.375750E+05           1.699051E-05
      5.236680E+04           5.212700E-05
      2.145490E+04           1.476347E-04
      9.316060E+03           3.921373E-04
      4.235400E+03           9.900468E-04
      1.997440E+03           2.383475E-03
      9.704300E+02           5.475682E-03
      4.832710E+02           1.183105E-02
      2.458060E+02           2.357475E-02
      1.273600E+02           4.140241E-02
      6.707880E+01           5.818726E-02
      3.583710E+01           4.596130E-02
      1.937130E+01          -2.847061E-02
      1.055710E+01          -1.817584E-01
      5.772490E+00          -3.512111E-01
      3.145400E+00          -2.324215E-01
      1.692490E+00           2.277188E-01
      8.886490E-01           5.757256E-01
      4.710930E-01           4.062223E-01
      2.492860E-01           8.525293E-02
      9.998800E-02           3.975498E-03
      4.636900E-02           1.954373E-03
Sc    S
      1.194950E+08           3.023751E-09
      2.149920E+07           2.009343E-08
      4.807030E+06           1.156659E-07
      1.284400E+06           5.364214E-07
      3.965950E+05           2.066097E-06
      1.375750E+05           7.126727E-06
      5.236680E+04           2.151877E-05
      2.145490E+04           6.213603E-05
      9.316060E+03           1.612839E-04
      4.235400E+03           4.183292E-04
      1.997440E+03           9.766017E-04
      9.704300E+02           2.324551E-03
      4.832710E+02           4.827024E-03
      2.458060E+02           1.009998E-02
      1.273600E+02           1.673441E-02
      6.707880E+01           2.581961E-02
      3.583710E+01           1.659005E-02
      1.937130E+01          -5.993844E-03
      1.055710E+01          -9.265210E-02
      5.772490E+00          -1.475540E-01
      3.145400E+00          -1.531648E-01
      1.692490E+00           2.278575E-01
      8.886490E-01           3.441065E-01
      4.710930E-01           7.482063E-01
      2.492860E-01          -7.586006E-01
      9.998800E-02          -1.492845E+00
      4.636900E-02           7.089234E-01
Sc    S
      1.194950E+08          -1.751768E-09
      2.149920E+07          -1.157503E-08
      4.807030E+06          -6.711375E-08
      1.284400E+06          -3.085845E-07
      3.965950E+05          -1.201088E-06
      1.375750E+05          -4.090037E-06
      5.236680E+04          -1.254629E-05
      2.145490E+04          -3.554102E-05
      9.316060E+03          -9.438160E-05
      4.235400E+03          -2.383648E-04
      1.997440E+03          -5.737202E-04
      9.704300E+02          -1.318746E-03
      4.832710E+02          -2.849209E-03
      2.458060E+02          -5.684235E-03
      1.273600E+02          -9.991445E-03
      6.707880E+01          -1.409713E-02
      3.583710E+01          -1.116554E-02
      1.937130E+01           6.912254E-03
      1.055710E+01           4.558164E-02
      5.772490E+00           9.219903E-02
      3.145400E+00           6.237781E-02
      1.692490E+00          -7.194592E-02
      8.886490E-01          -1.917054E-01
      4.710930E-01          -2.379872E-01
      2.492860E-01          -1.129999E-01
      9.998800E-02           3.424078E-01
      4.636900E-02           6.263064E-01
Sc    S
      1.194950E+08          -4.699340E-09
      2.149920E+07          -3.121033E-08
      4.807030E+06          -1.797873E-07
      1.284400E+06          -8.330969E-07
      3.965950E+05          -3.212062E-06
      1.375750E+05          -1.106577E-05
      5.236680E+04          -3.346404E-05
      2.145490E+04          -9.645132E-05
      9.316060E+03          -2.509128E-04
      4.235400E+03          -6.492071E-04
      1.997440E+03          -1.520210E-03
      9.704300E+02          -3.607668E-03
      4.832710E+02          -7.524161E-03
      2.458060E+02          -1.568944E-02
      1.273600E+02          -2.620054E-02
      6.707880E+01          -4.021946E-02
      3.583710E+01          -2.662630E-02
      1.937130E+01           1.032930E-02
      1.055710E+01           1.480576E-01
      5.772490E+00           2.660165E-01
      3.145400E+00           2.494336E-01
      1.692490E+00          -5.406974E-01
      8.886490E-01          -1.045556E+00
      4.710930E-01          -1.827419E-01
      2.492860E-01           2.749406E+00
      9.998800E-02          -1.329988E+00
      4.636900E-02          -1.651389E+00
Sc    S
      1.194950E+08          -5.382706E-09
      2.149920E+07          -3.464964E-08
      4.807030E+06          -2.077081E-07
      1.284400E+06          -9.176214E-07
      3.965950E+05          -3.749175E-06
      1.375750E+05          -1.202459E-05
      5.236680E+04          -3.967943E-05
      2.145490E+04          -1.028180E-04
      9.316060E+03          -3.033647E-04
      4.235400E+03          -6.770787E-04
      1.997440E+03          -1.876278E-03
      9.704300E+02          -3.671941E-03
      4.832710E+02          -9.536033E-03
      2.458060E+02          -1.530677E-02
      1.273600E+02          -3.545668E-02
      6.707880E+01          -3.294163E-02
      3.583710E+01          -5.839314E-02
      1.937130E+01           6.538662E-02
      1.055710E+01           6.318978E-02
      5.772490E+00           5.906996E-01
      3.145400E+00          -1.332877E-01
      1.692490E+00          -3.017064E-01
      8.886490E-01          -2.969901E+00
      4.710930E-01           4.814088E+00
      2.492860E-01          -8.352144E-01
      9.998800E-02          -4.401836E+00
      4.636900E-02           5.729989E+00
Sc    S
      1.194950E+08           8.181715E-09
      2.149920E+07           5.531212E-08
      4.807030E+06           3.110133E-07
      1.284400E+06           1.484627E-06
      3.965950E+05           5.517880E-06
      1.375750E+05           1.987947E-05
      5.236680E+04           5.688854E-05
      2.145490E+04           1.752133E-04
      9.316060E+03           4.210802E-04
      4.235400E+03           1.193679E-03
      1.997440E+03           2.520603E-03
      9.704300E+02           6.726648E-03
      4.832710E+02           1.230813E-02
      2.458060E+02           3.008461E-02
      1.273600E+02           4.143790E-02
      6.707880E+01           8.479558E-02
      3.583710E+01           2.415501E-02
      1.937130E+01           2.824664E-02
      1.055710E+01          -4.174669E-01
      5.772490E+00          -5.850258E-01
      3.145400E+00          -4.454488E-01
      1.692490E+00           4.127336E+00
      8.886490E-01          -2.305176E+00
      4.710930E-01          -5.710689E+00
      2.492860E-01           9.548572E+00
      9.998800E-02          -8.563715E+00
      4.636900E-02           6.185611E+00
Sc    S
      2.160600E-02           1.000000E+00
Sc    S
      0.0100700              1.0000000
Sc    P
      5.507050E+04           2.000000E-06
      1.374170E+04           2.100000E-05
      4.365400E+03           1.300000E-04
      1.642260E+03           6.120000E-04
      6.940660E+02           2.397000E-03
      3.177420E+02           8.073000E-03
      1.538990E+02           2.372600E-02
      7.776650E+01           6.062000E-02
      4.067360E+01           1.298550E-01
      2.190610E+01           2.210980E-01
      1.207950E+01           2.932320E-01
      6.753490E+00           2.767500E-01
      3.763210E+00           1.477940E-01
      2.049730E+00           3.202400E-02
      1.086450E+00           2.890000E-04
      5.640870E-01          -1.467000E-03
      2.810200E-01          -7.670000E-04
      1.215440E-01          -5.800000E-05
      5.345900E-02          -1.100000E-05
Sc    P
      5.507050E+04          -1.000000E-06
      1.374170E+04          -7.000000E-06
      4.365400E+03          -4.200000E-05
      1.642260E+03          -2.010000E-04
      6.940660E+02          -7.890000E-04
      3.177420E+02          -2.669000E-03
      1.538990E+02          -7.922000E-03
      7.776650E+01          -2.059800E-02
      4.067360E+01          -4.537500E-02
      2.190610E+01          -7.963200E-02
      1.207950E+01          -1.106180E-01
      6.753490E+00          -1.082040E-01
      3.763210E+00          -9.200000E-04
      2.049730E+00           2.175660E-01
      1.086450E+00           3.921900E-01
      5.640870E-01           3.639770E-01
      2.810200E-01           1.499530E-01
      1.215440E-01           1.514700E-02
      5.345900E-02           5.690000E-04
Sc    P
      5.507050E+04          -1.000000E-06
      1.374170E+04          -7.000000E-06
      4.365400E+03          -4.300000E-05
      1.642260E+03          -2.170000E-04
      6.940660E+02          -8.070000E-04
      3.177420E+02          -2.887000E-03
      1.538990E+02          -8.161000E-03
      7.776650E+01          -2.271300E-02
      4.067360E+01          -4.739600E-02
      2.190610E+01          -8.968000E-02
      1.207950E+01          -1.077940E-01
      6.753490E+00          -1.913740E-01
      3.763210E+00           3.672400E-02
      2.049730E+00           1.201016E+00
      1.086450E+00           3.399550E-01
      5.640870E-01          -3.802289E+00
      2.810200E-01           4.448876E+00
      1.215440E-01          -2.513096E+00
      5.345900E-02           4.021440E-01
Sc    P
      1.374170E+04          -6.000000E-06
      4.365400E+03          -2.400000E-05
      1.642260E+03          -1.730000E-04
      6.940660E+02          -4.550000E-04
      3.177420E+02          -2.275000E-03
      1.538990E+02          -4.543000E-03
      7.776650E+01          -1.774200E-02
      4.067360E+01          -2.427100E-02
      2.190610E+01          -7.561100E-02
      1.207950E+01          -4.487900E-02
      6.753490E+00          -1.899630E-01
      3.763210E+00           1.273510E-01
      2.049730E+00           1.161170E-01
      1.086450E+00           1.348698E+00
      5.640870E-01          -1.512311E+00
      2.810200E-01          -9.436110E-01
      1.215440E-01           2.307450E+00
      5.345900E-02          -1.217237E+00
Sc    P
      1.374170E+04           4.000000E-06
      4.365400E+03           2.700000E-05
      1.642260E+03           1.150000E-04
      6.940660E+02           4.920000E-04
      3.177420E+02           1.527000E-03
      1.538990E+02           4.936000E-03
      7.776650E+01           1.174700E-02
      4.067360E+01           2.860300E-02
      2.190610E+01           4.436000E-02
      1.207950E+01           7.619200E-02
      6.753490E+00           5.760600E-02
      3.763210E+00           2.398700E-02
      2.049730E+00          -2.155680E-01
      1.086450E+00          -3.753780E-01
      5.640870E-01          -4.369340E-01
      2.810200E-01           1.222472E+00
      1.215440E-01           4.294290E-01
      5.345900E-02          -9.345890E-01
Sc    P
      1.374170E+04           2.000000E-06
      4.365400E+03           1.200000E-05
      1.642260E+03           5.900000E-05
      6.940660E+02           2.320000E-04
      3.177420E+02           7.880000E-04
      1.538990E+02           2.330000E-03
      7.776650E+01           6.094000E-03
      4.067360E+01           1.337600E-02
      2.190610E+01           2.370100E-02
      1.207950E+01           3.278900E-02
      6.753490E+00           3.290900E-02
      3.763210E+00          -2.231000E-03
      2.049730E+00          -7.361100E-02
      1.086450E+00          -1.369540E-01
      5.640870E-01          -1.677060E-01
      2.810200E-01          -5.268600E-02
      1.215440E-01           5.744330E-01
      5.345900E-02           5.236500E-01
Sc    P
      1.374170E+04           2.000000E-06
      4.365400E+03           1.000000E-05
      1.642260E+03           4.900000E-05
      6.940660E+02           1.930000E-04
      3.177420E+02           6.490000E-04
      1.538990E+02           1.942000E-03
      7.776650E+01           5.022000E-03
      4.067360E+01           1.117500E-02
      2.190610E+01           1.947300E-02
      1.207950E+01           2.764700E-02
      6.753490E+00           2.646600E-02
      3.763210E+00          -1.460000E-03
      2.049730E+00          -6.499500E-02
      1.086450E+00          -1.156050E-01
      5.640870E-01          -1.382000E-01
      2.810200E-01           7.281000E-03
      1.215440E-01           3.621410E-01
      5.345900E-02           5.420120E-01
Sc    P
      2.321500E-02           1.000000E+00
Sc    P
      0.0100800              1.0000000
Sc    D
      2.056060E+02           2.380000E-04
      6.102270E+01           2.167000E-03
      2.336300E+01           1.084900E-02
      9.963460E+00           3.588100E-02
      4.489450E+00           9.349100E-02
      2.117950E+00           1.810760E-01
      1.012018E+00           2.575930E-01
      4.810450E-01           2.918550E-01
      2.264880E-01           2.690060E-01
      1.050570E-01           1.881740E-01
      4.768200E-02           7.324300E-02
Sc    D
      2.056060E+02          -5.240000E-04
      6.102270E+01          -6.793000E-03
      2.336300E+01          -2.631900E-02
      9.963460E+00          -1.219320E-01
      4.489450E+00          -2.498200E-01
      2.117950E+00          -6.181690E-01
      1.012018E+00           9.989180E-01
      4.810450E-01           5.962450E-01
      2.264880E-01          -2.138243E+00
      1.050570E-01           1.973082E+00
      4.768200E-02          -6.527370E-01
Sc    D
      2.056060E+02          -4.530000E-04
      6.102270E+01          -3.796000E-03
      2.336300E+01          -2.077300E-02
      9.963460E+00          -6.544600E-02
      4.489450E+00          -1.943420E-01
      2.117950E+00          -3.147140E-01
      1.012018E+00          -2.516280E-01
      4.810450E-01           1.085315E+00
      2.264880E-01          -1.291800E-02
      1.050570E-01          -1.243783E+00
      4.768200E-02           7.723990E-01
Sc    D
      2.056060E+02          -2.430000E-04
      6.102270E+01          -2.214000E-03
      2.336300E+01          -1.110700E-02
      9.963460E+00          -3.697000E-02
      4.489450E+00          -9.781500E-02
      2.117950E+00          -1.845670E-01
      1.012018E+00          -2.472790E-01
      4.810450E-01          -2.053770E-01
      2.264880E-01           1.036720E-01
      1.050570E-01           4.618980E-01
      4.768200E-02           3.834000E-01
Sc    D
      2.056060E+02          -3.220000E-04
      6.102270E+01          -2.876000E-03
      2.336300E+01          -1.481800E-02
      9.963460E+00          -4.843800E-02
      4.489450E+00          -1.307580E-01
      2.117950E+00          -2.428420E-01
      1.012018E+00          -2.844310E-01
      4.810450E-01           1.037260E-01
      2.264880E-01           7.430280E-01
      1.050570E-01           9.533700E-02
      4.768200E-02          -6.651170E-01
Sc    D
      2.066000E-02           1.000000E+00
Sc    D
      0.0089500              1.0000000
Sc    F
      2.340000E+00           1.000000E+00
Sc    F
      7.657000E-01           1.000000E+00
Sc    F
      2.505000E-01           1.000000E+00
Sc    F
      8.200000E-02           1.000000E+00
Sc    F
      0.0248200              1.0000000
Sc    G
      1.727200E+00           1.000000E+00
Sc    G
      5.445000E-01           1.000000E+00
Sc    G
      1.717000E-01           1.000000E+00
Sc    G
      0.0488400              1.0000000
Sc    H
      1.159200E+00           1.000000E+00
Sc    H
      3.308000E-01           1.000000E+00
Sc    H
      0.0948900              1.0000000
Sc    I
      5.720000E-01           1.0000000
Sc    I
      0.1386300              1.0000000
end
basis "Ti_aug-cc-pV5Z" SPHERICAL 
#basis SET: (218s,133p,57d,5f,4g,3h,2i) -> [10s,9p,7d,5f,4g,3h,2i]
Ti    S
      1.226470E+08           7.095361E-08
      2.195620E+07           4.715986E-07
      4.902330E+06           2.734360E-06
      1.310600E+06           1.254715E-05
      4.052280E+05           4.874740E-05
      1.407570E+05           1.656213E-04
      5.362510E+04           5.076450E-04
      2.197620E+04           1.435019E-03
      9.539600E+03           3.802412E-03
      4.334370E+03           9.523779E-03
      2.042890E+03           2.256875E-02
      9.923080E+02           5.005125E-02
      4.944460E+02           1.012414E-01
      2.519070E+02           1.777644E-01
      1.309050E+02           2.479159E-01
      6.923680E+01           2.326747E-01
      3.718470E+01           1.178873E-01
      2.021570E+01           5.105946E-02
      1.107650E+01           9.307720E-02
      6.078670E+00           1.086846E-01
      3.312770E+00           4.564404E-02
      1.772500E+00           5.168047E-03
      9.173780E-01           3.233996E-04
      4.692830E-01          -4.994148E-05
      2.192670E-01           1.320420E-05
      1.058110E-01          -2.323768E-07
      4.844300E-02           1.693377E-05
Ti    S
      1.226470E+08          -4.075872E-08
      2.195620E+07          -2.709226E-07
      4.902330E+06          -1.570715E-06
      1.310600E+06          -7.208331E-06
      4.052280E+05          -2.800379E-05
      1.407570E+05          -9.517165E-05
      5.362510E+04          -2.917720E-04
      2.197620E+04          -8.256845E-04
      9.539600E+03          -2.191592E-03
      4.334370E+03          -5.513608E-03
      2.042890E+03          -1.317331E-02
      9.923080E+02          -2.972775E-02
      4.944460E+02          -6.213528E-02
      2.519070E+02          -1.164183E-01
      1.309050E+02          -1.841156E-01
      6.923680E+01          -2.185094E-01
      3.718470E+01          -1.380868E-01
      2.021570E+01           8.418941E-02
      1.107650E+01           3.811652E-01
      6.078670E+00           4.556996E-01
      3.312770E+00           1.917966E-01
      1.772500E+00           2.151962E-02
      9.173780E-01           1.959175E-04
      4.692830E-01          -8.089156E-04
      2.192670E-01          -5.422205E-05
      1.058110E-01           1.652837E-05
      4.844300E-02           6.140255E-05
Ti    S
      1.226470E+08           8.126533E-09
      2.195620E+07           5.402507E-08
      4.902330E+06           3.131603E-07
      1.310600E+06           1.437508E-06
      4.052280E+05           5.583328E-06
      1.407570E+05           1.898417E-05
      5.362510E+04           5.819596E-05
      2.197620E+04           1.649019E-04
      9.539600E+03           4.381911E-04
      4.334370E+03           1.107231E-03
      2.042890E+03           2.663108E-03
      9.923080E+02           6.103966E-03
      4.944460E+02           1.310044E-02
      2.519070E+02           2.583473E-02
      1.309050E+02           4.449334E-02
      6.923680E+01           6.033054E-02
      3.718470E+01           4.260364E-02
      2.021570E+01          -4.039406E-02
      1.107650E+01          -2.075689E-01
      6.078670E+00          -3.654648E-01
      3.312770E+00          -1.936936E-01
      1.772500E+00           2.988342E-01
      9.173780E-01           6.067712E-01
      4.692830E-01           3.552150E-01
      2.192670E-01           4.285188E-02
      1.058110E-01          -4.835460E-04
      4.844300E-02           2.744033E-03
Ti    S
      1.226470E+08           3.549931E-09
      2.195620E+07           2.360021E-08
      4.902330E+06           1.367980E-07
      1.310600E+06           6.279605E-07
      4.052280E+05           2.438963E-06
      1.407570E+05           8.293127E-06
      5.362510E+04           2.542185E-05
      2.197620E+04           7.203924E-05
      9.539600E+03           1.914264E-04
      4.334370E+03           4.837789E-04
      2.042890E+03           1.163735E-03
      9.923080E+02           2.668623E-03
      4.944460E+02           5.731308E-03
      2.519070E+02           1.132130E-02
      1.309050E+02           1.955315E-02
      6.923680E+01           2.667333E-02
      3.718470E+01           1.900155E-02
      2.021570E+01          -1.799341E-02
      1.107650E+01          -9.813293E-02
      6.078670E+00          -1.886658E-01
      3.312770E+00          -9.633798E-02
      1.772500E+00           2.275436E-01
      9.173780E-01           5.716640E-01
      4.692830E-01           3.842511E-01
      2.192670E-01          -9.402894E-01
      1.058110E-01          -1.105239E+00
      4.844300E-02           7.263152E-01
Ti    S
      1.226470E+08          -1.917924E-09
      2.195620E+07          -1.275194E-08
      4.902330E+06          -7.390566E-08
      1.310600E+06          -3.393166E-07
      4.052280E+05          -1.317608E-06
      1.407570E+05          -4.481371E-06
      5.362510E+04          -1.373284E-05
      2.197620E+04          -3.892998E-05
      9.539600E+03          -1.033977E-04
      4.334370E+03          -2.614367E-04
      2.042890E+03          -6.284415E-04
      9.923080E+02          -1.441853E-03
      4.944460E+02          -3.093015E-03
      2.519070E+02          -6.111397E-03
      1.309050E+02          -1.052833E-02
      6.923680E+01          -1.435524E-02
      3.718470E+01          -1.013538E-02
      2.021570E+01           9.606909E-03
      1.107650E+01           5.144379E-02
      6.078670E+00           9.453862E-02
      3.312770E+00           5.074349E-02
      1.772500E+00          -9.206241E-02
      9.173780E-01          -2.088530E-01
      4.692830E-01          -2.397326E-01
      2.192670E-01          -6.020934E-02
      1.058110E-01           3.785445E-01
      4.844300E-02           6.064633E-01
Ti    S
      1.226470E+08          -5.483292E-09
      2.195620E+07          -3.632168E-08
      4.902330E+06          -2.115133E-07
      1.310600E+06          -9.655732E-07
      4.052280E+05          -3.775667E-06
      1.407570E+05          -1.273208E-05
      5.362510E+04          -3.942849E-05
      2.197620E+04          -1.103639E-04
      9.539600E+03          -2.976000E-04
      4.334370E+03          -7.394247E-04
      2.042890E+03          -1.814232E-03
      9.923080E+02          -4.069364E-03
      4.944460E+02          -8.975097E-03
      2.519070E+02          -1.720642E-02
      1.309050E+02          -3.100851E-02
      6.923680E+01          -3.994524E-02
      3.718470E+01          -3.317775E-02
      2.021570E+01           3.508550E-02
      1.107650E+01           1.472194E-01
      6.078670E+00           3.566400E-01
      3.312770E+00           1.090647E-01
      1.772500E+00          -5.756267E-01
      9.173780E-01          -1.403845E+00
      4.692830E-01           1.201553E+00
      2.192670E-01           2.163741E+00
      1.058110E-01          -2.238399E+00
      4.844300E-02          -8.108372E-01
Ti    S
      1.226470E+08          -6.513149E-09
      2.195620E+07          -4.297168E-08
      4.902330E+06          -2.514831E-07
      1.310600E+06          -1.141345E-06
      4.052280E+05          -4.494753E-06
      1.407570E+05          -1.502517E-05
      5.362510E+04          -4.703008E-05
      2.197620E+04          -1.299433E-04
      9.539600E+03          -3.558767E-04
      4.334370E+03          -8.684153E-04
      2.042890E+03          -2.175750E-03
      9.923080E+02          -4.767576E-03
      4.944460E+02          -1.081297E-02
      2.519070E+02          -2.009361E-02
      1.309050E+02          -3.788017E-02
      6.923680E+01          -4.603327E-02
      3.718470E+01          -4.444843E-02
      2.021570E+01           4.721242E-02
      1.107650E+01           1.834186E-01
      6.078670E+00           5.520638E-01
      3.312770E+00          -4.585806E-02
      1.772500E+00          -1.247269E+00
      9.173780E-01          -1.478369E+00
      4.692830E-01           4.820752E+00
      2.192670E-01          -3.007881E+00
      1.058110E-01          -1.891115E+00
      4.844300E-02           4.376435E+00
Ti    S
      1.226470E+08          -8.931375E-09
      2.195620E+07          -6.257680E-08
      4.902330E+06          -3.389705E-07
      1.310600E+06          -1.686299E-06
      4.052280E+05          -5.932742E-06
      1.407570E+05          -2.274958E-05
      5.362510E+04          -6.006257E-05
      2.197620E+04          -2.033896E-04
      9.539600E+03          -4.358911E-04
      4.334370E+03          -1.410248E-03
      2.042890E+03          -2.544250E-03
      9.923080E+02          -8.077296E-03
      4.944460E+02          -1.186207E-02
      2.519070E+02          -3.676473E-02
      1.309050E+02          -3.464619E-02
      6.923680E+01          -1.101500E-01
      3.718470E+01           2.928617E-02
      2.021570E+01          -1.149519E-01
      1.107650E+01           6.808841E-01
      6.078670E+00           3.239576E-01
      3.312770E+00           5.267715E-01
      1.772500E+00          -5.392594E+00
      9.173780E-01           6.766582E+00
      4.692830E-01          -1.192654E+00
      2.192670E-01          -5.840986E+00
      1.058110E-01           8.579205E+00
      4.844300E-02          -6.438243E+00
Ti    S
      2.253500E-02           1.000000E+00
Ti    S
      0.0104800              1.0000000
Ti    P
      5.928490E+04           3.000000E-06
      1.432360E+04           2.300000E-05
      4.537220E+03           1.440000E-04
      1.726540E+03           6.600000E-04
      7.410750E+02           2.509000E-03
      3.438070E+02           8.294000E-03
      1.678840E+02           2.424700E-02
      8.503940E+01           6.223100E-02
      4.438290E+01           1.342200E-01
      2.379280E+01           2.290500E-01
      1.305360E+01           3.003980E-01
      7.268720E+00           2.722610E-01
      4.038050E+00           1.350820E-01
      2.192940E+00           2.602900E-02
      1.161620E+00          -3.040000E-04
      6.032500E-01          -1.434000E-03
      3.001740E-01          -6.540000E-04
      1.302640E-01          -4.000000E-05
      5.729800E-02          -1.000000E-05
Ti    P
      5.928490E+04          -1.000000E-06
      1.432360E+04          -8.000000E-06
      4.537220E+03          -4.800000E-05
      1.726540E+03          -2.210000E-04
      7.410750E+02          -8.440000E-04
      3.438070E+02          -2.802000E-03
      1.678840E+02          -8.278000E-03
      8.503940E+01          -2.163500E-02
      4.438290E+01          -4.804700E-02
      2.379280E+01          -8.466500E-02
      1.305360E+01          -1.167480E-01
      7.268720E+00          -1.071290E-01
      4.038050E+00           1.908800E-02
      2.192940E+00           2.461940E-01
      1.161620E+00           4.013780E-01
      6.032500E-01           3.415650E-01
      3.001740E-01           1.268890E-01
      1.302640E-01           1.132000E-02
      5.729800E-02           6.740000E-04
Ti    P
      5.928490E+04          -1.000000E-06
      1.432360E+04          -8.000000E-06
      4.537220E+03          -5.100000E-05
      1.726540E+03          -2.160000E-04
      7.410750E+02          -8.980000E-04
      3.438070E+02          -2.739000E-03
      1.678840E+02          -8.851000E-03
      8.503940E+01          -2.138800E-02
      4.438290E+01          -5.257400E-02
      2.379280E+01          -8.250500E-02
      1.305360E+01          -1.344340E-01
      7.268720E+00          -1.828100E-01
      4.038050E+00           9.623300E-02
      2.192940E+00           1.445569E+00
      1.161620E+00          -5.030230E-01
      6.032500E-01          -2.972236E+00
      3.001740E-01           4.273043E+00
      1.302640E-01          -2.830371E+00
      5.729800E-02           7.500080E-01
Ti    P
      5.928490E+04          -1.000000E-06
      1.432360E+04          -7.000000E-06
      4.537220E+03          -3.000000E-05
      1.726540E+03          -1.900000E-04
      7.410750E+02          -5.300000E-04
      3.438070E+02          -2.395000E-03
      1.678840E+02          -5.202000E-03
      8.503940E+01          -1.850700E-02
      4.438290E+01          -2.911900E-02
      2.379280E+01          -7.784500E-02
      1.305360E+01          -6.077800E-02
      7.268720E+00          -1.826750E-01
      4.038050E+00           1.166390E-01
      2.192940E+00           2.993610E-01
      1.161620E+00           1.232089E+00
      6.032500E-01          -1.894248E+00
      3.001740E-01          -3.673190E-01
      1.302640E-01           2.010770E+00
      5.729800E-02          -1.186867E+00
Ti    P
      5.928490E+04           1.000000E-06
      1.432360E+04           4.000000E-06
      4.537220E+03           3.000000E-05
      1.726540E+03           1.260000E-04
      7.410750E+02           5.190000E-04
      3.438070E+02           1.602000E-03
      1.678840E+02           5.091000E-03
      8.503940E+01           1.237200E-02
      4.438290E+01           2.981400E-02
      2.379280E+01           4.775900E-02
      1.305360E+01           7.821500E-02
      7.268720E+00           5.826000E-02
      4.038050E+00           5.128000E-03
      2.192940E+00          -2.393170E-01
      1.161620E+00          -3.989020E-01
      6.032500E-01          -3.113740E-01
      3.001740E-01           1.250230E+00
      1.302640E-01           2.790480E-01
      5.729800E-02          -8.988870E-01
Ti    P
      1.432360E+04           2.000000E-06
      4.537220E+03           1.400000E-05
      1.726540E+03           6.600000E-05
      7.410750E+02           2.520000E-04
      3.438070E+02           8.330000E-04
      1.678840E+02           2.474000E-03
      8.503940E+01           6.443000E-03
      4.438290E+01           1.441100E-02
      2.379280E+01           2.531500E-02
      1.305360E+01           3.547800E-02
      7.268720E+00           3.218500E-02
      4.038050E+00          -7.732000E-03
      2.192940E+00          -8.691600E-02
      1.161620E+00          -1.425800E-01
      6.032500E-01          -1.704350E-01
      3.001740E-01           6.736000E-03
      1.302640E-01           5.966850E-01
      5.729800E-02           4.753380E-01
Ti    P
      1.432360E+04           2.000000E-06
      4.537220E+03           1.200000E-05
      1.726540E+03           5.300000E-05
      7.410750E+02           2.030000E-04
      3.438070E+02           6.700000E-04
      1.678840E+02           1.996000E-03
      8.503940E+01           5.189000E-03
      4.438290E+01           1.164000E-02
      2.379280E+01           2.037500E-02
      1.305360E+01           2.871400E-02
      7.268720E+00           2.572600E-02
      4.038050E+00          -6.688000E-03
      2.192940E+00          -7.198500E-02
      1.161620E+00          -1.184150E-01
      6.032500E-01          -1.300000E-01
      3.001740E-01           3.071100E-02
      1.302640E-01           3.791430E-01
      5.729800E-02           5.276150E-01
Ti    P
      2.495200E-02           1.000000E+00
Ti    P
      0.0108700              1.0000000
Ti    D
      2.493560E+02           2.310000E-04
      7.474830E+01           2.080000E-03
      2.893990E+01           1.054200E-02
      1.252790E+01           3.536700E-02
      5.734310E+00           9.260700E-02
      2.745310E+00           1.831320E-01
      1.332120E+00           2.650160E-01
      6.410880E-01           3.000210E-01
      3.027810E-01           2.673900E-01
      1.390530E-01           1.713110E-01
      6.202900E-02           5.892900E-02
Ti    D
      2.493560E+02          -5.630000E-04
      7.474830E+01          -6.557000E-03
      2.893990E+01          -2.803500E-02
      1.252790E+01          -1.243040E-01
      5.734310E+00          -2.980530E-01
      2.745310E+00          -5.085580E-01
      1.332120E+00           1.046121E+00
      6.410880E-01           3.615210E-01
      3.027810E-01          -1.882322E+00
      1.390530E-01           1.747460E+00
      6.202900E-02          -4.512010E-01
Ti    D
      2.493560E+02          -4.520000E-04
      7.474830E+01          -3.843000E-03
      2.893990E+01          -2.098000E-02
      1.252790E+01          -6.914100E-02
      5.734310E+00          -2.118930E-01
      2.745310E+00          -3.288390E-01
      1.332120E+00          -8.351000E-02
      6.410880E-01           1.039667E+00
      3.027810E-01          -2.452340E-01
      1.390530E-01          -1.065614E+00
      6.202900E-02           7.625840E-01
Ti    D
      2.493560E+02          -3.770000E-04
      7.474830E+01          -3.382000E-03
      2.893990E+01          -1.748800E-02
      1.252790E+01          -5.956100E-02
      5.734310E+00          -1.639910E-01
      2.745310E+00          -2.958230E-01
      1.332120E+00          -2.674980E-01
      6.410880E-01           2.425250E-01
      3.027810E-01           7.002880E-01
      1.390530E-01          -5.622800E-02
      6.202900E-02          -5.893560E-01
Ti    D
      2.493560E+02          -2.340000E-04
      7.474830E+01          -2.115000E-03
      2.893990E+01          -1.074200E-02
      1.252790E+01          -3.633400E-02
      5.734310E+00          -9.710000E-02
      2.745310E+00          -1.877290E-01
      1.332120E+00          -2.464470E-01
      6.410880E-01          -1.829140E-01
      3.027810E-01           1.364430E-01
      1.390530E-01           4.735860E-01
      6.202900E-02           3.669010E-01
Ti    D
      2.643956E-02           1.000000E+00
Ti    D
      0.0112700              1.0000000
Ti    F
      3.543800E+00           1.000000E+00
Ti    F
      1.175900E+00           1.000000E+00
Ti    F
      3.902000E-01           1.000000E+00
Ti    F
      1.295000E-01           1.000000E+00
Ti    F
      0.0408400              1.0000000
Ti    G
      2.561100E+00           1.000000E+00
Ti    G
      8.111000E-01           1.000000E+00
Ti    G
      2.569000E-01           1.000000E+00
Ti    G
      0.0794900              1.0000000
Ti    H
      1.825700E+00           1.000000E+00
Ti    H
      5.103000E-01           1.000000E+00
Ti    H
      0.1678700              1.0000000
Ti    I
      1.010500E+00           1.0000000
Ti    I
      0.3208900              1.0000000
end
basis "V_aug-cc-pV5Z" SPHERICAL 
#basis SET: (218s,133p,57d,5f,4g,3h,2i) -> [10s,9p,7d,5f,4g,3h,2i]
V    S
      1.283490E+08           7.559082E-08
      2.290440E+07           5.044461E-07
      5.107770E+06           2.926152E-06
      1.365280E+06           1.342415E-05
      4.222280E+05           5.213143E-05
      1.466850E+05           1.771205E-04
      5.587230E+04           5.432404E-04
      2.288130E+04           1.537734E-03
      9.920450E+03           4.081932E-03
      4.499920E+03           1.024296E-02
      2.116750E+03           2.429719E-02
      1.026060E+03           5.382741E-02
      5.102570E+02           1.083046E-01
      2.595320E+02           1.877510E-01
      1.347090E+02           2.548794E-01
      7.121040E+01           2.275392E-01
      3.824960E+01           1.075294E-01
      2.081020E+01           5.099967E-02
      1.141580E+01           9.479662E-02
      6.273020E+00           9.804244E-02
      3.421770E+00           3.562689E-02
      1.830440E+00           3.443702E-03
      9.452350E-01           2.031152E-04
      4.759280E-01          -4.464829E-05
      1.863810E-01           6.908941E-06
      1.067680E-01           7.077376E-06
      4.997900E-02           1.993250E-05
V    S
      1.283490E+08          -4.233311E-08
      2.290440E+07          -2.825169E-07
      5.107770E+06          -1.638725E-06
      1.365280E+06          -7.518519E-06
      4.222280E+05          -2.919695E-05
      1.466850E+05          -9.922464E-05
      5.587230E+04          -3.044176E-04
      2.288130E+04          -8.626493E-04
      9.920450E+03          -2.294364E-03
      4.499920E+03          -5.784361E-03
      2.116750E+03          -1.384521E-02
      1.026060E+03          -3.125257E-02
      5.102570E+02          -6.517593E-02
      2.595320E+02          -1.212452E-01
      1.347090E+02          -1.887922E-01
      7.121040E+01          -2.160891E-01
      3.824960E+01          -1.207730E-01
      2.081020E+01           1.189207E-01
      1.141580E+01           4.145044E-01
      6.273020E+00           4.365960E-01
      3.421770E+00           1.587686E-01
      1.830440E+00           1.503861E-02
      9.452350E-01          -3.137970E-04
      4.759280E-01          -7.231998E-04
      1.863810E-01          -5.192450E-05
      1.067680E-01           6.466420E-05
      4.997900E-02           7.544843E-05
V    S
      1.283490E+08           8.764631E-09
      2.290440E+07           5.850453E-08
      5.107770E+06           3.392632E-07
      1.365280E+06           1.557075E-06
      4.222280E+05           6.044595E-06
      1.466850E+05           2.055506E-05
      5.587230E+04           6.304706E-05
      2.288130E+04           1.789327E-04
      9.920450E+03           4.763534E-04
      4.499920E+03           1.206681E-03
      2.116750E+03           2.907380E-03
      1.026060E+03           6.671537E-03
      5.102570E+02           1.429445E-02
      2.595320E+02           2.805248E-02
      1.347090E+02           4.764851E-02
      7.121040E+01           6.239290E-02
      3.824960E+01           3.815300E-02
      2.081020E+01          -5.632949E-02
      1.141580E+01          -2.394515E-01
      6.273020E+00          -3.730611E-01
      3.421770E+00          -1.378359E-01
      1.830440E+00           3.654197E-01
      9.452350E-01           6.074602E-01
      4.759280E-01           3.015966E-01
      1.863810E-01           2.613175E-02
      1.067680E-01          -4.555459E-03
      4.997900E-02           3.357216E-03
V    S
      1.283490E+08          -3.919381E-09
      2.290440E+07          -2.603331E-08
      5.107770E+06          -1.519192E-07
      1.365280E+06          -6.920024E-07
      4.222280E+05          -2.711224E-06
      1.466850E+05          -9.115965E-06
      5.587230E+04          -2.835051E-05
      2.288130E+04          -7.912836E-05
      9.920450E+03          -2.148784E-04
      4.499920E+03          -5.319650E-04
      2.116750E+03          -1.316357E-03
      1.026060E+03          -2.931813E-03
      5.102570E+02          -6.511894E-03
      2.595320E+02          -1.226756E-02
      1.347090E+02          -2.210677E-02
      7.121040E+01          -2.664568E-02
      3.824960E+01          -2.085328E-02
      2.081020E+01           3.285405E-02
      1.141580E+01           1.037039E-01
      6.273020E+00           2.240209E-01
      3.421770E+00           2.243918E-02
      1.830440E+00          -2.269588E-01
      9.452350E-01          -7.256302E-01
      4.759280E-01          -2.136386E-02
      1.863810E-01           1.226719E+00
      1.067680E-01           5.355637E-01
      4.997900E-02          -6.820891E-01
V    S
      1.283490E+08          -6.069160E-09
      2.290440E+07          -4.016055E-08
      5.107770E+06          -2.354898E-07
      1.365280E+06          -1.066503E-06
      4.222280E+05          -4.207968E-06
      1.466850E+05          -1.402663E-05
      5.587230E+04          -4.408568E-05
      2.288130E+04          -1.214852E-04
      9.920450E+03          -3.349349E-04
      4.499920E+03          -8.147638E-04
      2.116750E+03          -2.057575E-03
      1.026060E+03          -4.479489E-03
      5.102570E+02          -1.022640E-02
      2.595320E+02          -1.867514E-02
      1.347090E+02          -3.518784E-02
      7.121040E+01          -3.981114E-02
      3.824960E+01          -3.673509E-02
      2.081020E+01           5.969102E-02
      1.141580E+01           1.588361E-01
      6.273020E+00           4.222280E-01
      3.421770E+00          -3.835624E-02
      1.830440E+00          -6.567155E-01
      9.452350E-01          -1.457462E+00
      4.759280E-01           2.069868E+00
      1.863810E-01           1.654281E+00
      1.067680E-01          -2.804802E+00
      4.997900E-02          -1.989010E-01
V    S
      1.283490E+08          -2.028614E-09
      2.290440E+07          -1.354229E-08
      5.107770E+06          -7.852223E-08
      1.365280E+06          -3.604305E-07
      4.222280E+05          -1.398979E-06
      1.466850E+05          -4.758252E-06
      5.587230E+04          -1.459127E-05
      2.288130E+04          -4.142355E-05
      9.920450E+03          -1.102431E-04
      4.499920E+03          -2.793901E-04
      2.116750E+03          -6.729388E-04
      1.026060E+03          -1.545358E-03
      5.102570E+02          -3.310669E-03
      2.595320E+02          -6.508065E-03
      1.347090E+02          -1.106511E-02
      7.121040E+01          -1.456548E-02
      3.824960E+01          -8.920511E-03
      2.081020E+01           1.323718E-02
      1.141580E+01           5.853341E-02
      6.273020E+00           9.535172E-02
      3.421770E+00           3.433249E-02
      1.830440E+00          -1.099505E-01
      9.452350E-01          -2.173991E-01
      4.759280E-01          -2.237757E-01
      1.863810E-01          -1.020157E-02
      1.067680E-01           4.012464E-01
      4.997900E-02           5.727820E-01
V    S
      1.283490E+08          -7.379510E-09
      2.290440E+07          -4.984396E-08
      5.107770E+06          -2.846693E-07
      1.365280E+06          -1.330646E-06
      4.222280E+05          -5.051098E-06
      1.466850E+05          -1.765499E-05
      5.587230E+04          -5.235950E-05
      2.288130E+04          -1.547542E-04
      9.920450E+03          -3.926928E-04
      4.499920E+03          -1.052087E-03
      2.116750E+03          -2.379149E-03
      1.026060E+03          -5.879989E-03
      5.102570E+02          -1.160458E-02
      2.595320E+02          -2.534133E-02
      1.347090E+02          -3.801562E-02
      7.121040E+01          -6.218123E-02
      3.824960E+01          -1.933881E-02
      2.081020E+01           1.617214E-02
      1.141580E+01           3.477025E-01
      6.273020E+00           4.361287E-01
      3.421770E+00           3.649234E-03
      1.830440E+00          -2.075832E+00
      9.452350E-01           2.889184E-01
      4.759280E-01           3.521689E+00
      1.863810E-01          -4.734610E+00
      1.067680E-01           1.206791E+00
      4.997900E-02           2.959804E+00
V    S
      1.283490E+08          -9.582444E-09
      2.290440E+07          -6.716611E-08
      5.107770E+06          -3.657711E-07
      1.365280E+06          -1.808765E-06
      4.222280E+05          -6.406617E-06
      1.466850E+05          -2.435350E-05
      5.587230E+04          -6.507095E-05
      2.288130E+04          -2.176891E-04
      9.920450E+03          -4.756448E-04
      4.499920E+03          -1.511976E-03
      2.116750E+03          -2.801195E-03
      1.026060E+03          -8.666197E-03
      5.102570E+02          -1.312669E-02
      2.595320E+02          -3.917805E-02
      1.347090E+02          -3.801547E-02
      7.121040E+01          -1.132696E-01
      3.824960E+01           3.595954E-02
      2.081020E+01          -9.739948E-02
      1.141580E+01           7.821952E-01
      6.273020E+00           3.538718E-01
      3.421770E+00          -1.355217E-01
      1.830440E+00          -5.107322E+00
      9.452350E-01           8.682950E+00
      4.759280E-01          -5.212940E+00
      1.863810E-01          -2.372652E+00
      1.067680E-01           7.162499E+00
      4.997900E-02          -6.229373E+00
V    S
      2.350100E-02           1.000000E+00
V    S
      0.0110500              1.0000000
V    P
      6.760210E+04           2.000000E-06
      1.633010E+04           2.200000E-05
      5.149590E+03           1.380000E-04
      1.950030E+03           6.370000E-04
      8.344630E+02           2.430000E-03
      3.869900E+02           8.029000E-03
      1.893720E+02           2.342200E-02
      9.628450E+01           6.003500E-02
      5.046400E+01           1.300820E-01
      2.714830E+01           2.246520E-01
      1.492560E+01           2.994840E-01
      8.316170E+00           2.766330E-01
      4.620860E+00           1.402270E-01
      2.511380E+00           2.785200E-02
      1.330910E+00          -1.740000E-04
      6.904150E-01          -1.471000E-03
      3.432070E-01          -6.800000E-04
      1.458960E-01          -4.200000E-05
      6.297100E-02          -8.000000E-06
V    P
      6.760210E+04          -1.000000E-06
      1.633010E+04          -8.000000E-06
      5.149590E+03          -4.700000E-05
      1.950030E+03          -2.170000E-04
      8.344630E+02          -8.310000E-04
      3.869900E+02          -2.758000E-03
      1.893720E+02          -8.131000E-03
      9.628450E+01          -2.122500E-02
      5.046400E+01          -4.735800E-02
      2.714830E+01          -8.454400E-02
      1.492560E+01          -1.184370E-01
      8.316170E+00          -1.107500E-01
      4.620860E+00           1.592400E-02
      2.511380E+00           2.455750E-01
      1.330910E+00           4.018980E-01
      6.904150E-01           3.419350E-01
      3.432070E-01           1.291400E-01
      1.458960E-01           1.176900E-02
      6.297100E-02           3.810000E-04
V    P
      6.760210E+04          -1.000000E-06
      1.633010E+04          -7.000000E-06
      5.149590E+03          -5.400000E-05
      1.950030E+03          -2.100000E-04
      8.344630E+02          -9.630000E-04
      3.869900E+02          -2.678000E-03
      1.893720E+02          -9.469000E-03
      9.628450E+01          -2.076700E-02
      5.046400E+01          -5.680200E-02
      2.714830E+01          -7.998000E-02
      1.492560E+01          -1.601810E-01
      8.316170E+00          -1.677710E-01
      4.620860E+00           9.808000E-02
      2.511380E+00           1.556815E+00
      1.330910E+00          -8.027370E-01
      6.904150E-01          -2.622815E+00
      3.432070E-01           4.023366E+00
      1.458960E-01          -2.754621E+00
      6.297100E-02           8.325630E-01
V    P
      6.760210E+04          -1.000000E-06
      1.633010E+04          -7.000000E-06
      5.149590E+03          -3.200000E-05
      1.950030E+03          -1.930000E-04
      8.344630E+02          -5.690000E-04
      3.869900E+02          -2.446000E-03
      1.893720E+02          -5.564000E-03
      9.628450E+01          -1.888600E-02
      5.046400E+01          -3.159300E-02
      2.714830E+01          -7.991600E-02
      1.492560E+01          -7.083500E-02
      8.316170E+00          -1.822610E-01
      4.620860E+00           1.077550E-01
      2.511380E+00           3.921670E-01
      1.330910E+00           1.089475E+00
      6.904150E-01          -1.832878E+00
      3.432070E-01          -2.943300E-01
      1.458960E-01           1.902904E+00
      6.297100E-02          -1.152061E+00
V    P
      6.760210E+04           1.000000E-06
      1.633010E+04           4.000000E-06
      5.149590E+03           3.000000E-05
      1.950030E+03           1.270000E-04
      8.344630E+02           5.290000E-04
      3.869900E+02           1.610000E-03
      1.893720E+02           5.181000E-03
      9.628450E+01           1.238100E-02
      5.046400E+01           3.049600E-02
      2.714830E+01           4.855200E-02
      1.492560E+01           8.243200E-02
      8.316170E+00           6.037000E-02
      4.620860E+00           1.012200E-02
      2.511380E+00          -2.605390E-01
      1.330910E+00          -3.924090E-01
      6.904150E-01          -2.954210E-01
      3.432070E-01           1.239145E+00
      1.458960E-01           2.525760E-01
      6.297100E-02          -8.792700E-01
V    P
      1.633010E+04           2.000000E-06
      5.149590E+03           1.400000E-05
      1.950030E+03           6.500000E-05
      8.344630E+02           2.490000E-04
      3.869900E+02           8.230000E-04
      1.893720E+02           2.438000E-03
      9.628450E+01           6.342000E-03
      5.046400E+01           1.424900E-02
      2.714830E+01           2.537000E-02
      1.492560E+01           3.611200E-02
      8.316170E+00           3.346200E-02
      4.620860E+00          -6.826000E-03
      2.511380E+00          -8.746200E-02
      1.330910E+00          -1.451170E-01
      6.904150E-01          -1.669600E-01
      3.432070E-01           1.619700E-02
      1.458960E-01           5.946810E-01
      6.297100E-02           4.728630E-01
V    P
      1.633010E+04           2.000000E-06
      5.149590E+03           1.100000E-05
      1.950030E+03           5.200000E-05
      8.344630E+02           2.010000E-04
      3.869900E+02           6.630000E-04
      1.893720E+02           1.973000E-03
      9.628450E+01           5.116000E-03
      5.046400E+01           1.155200E-02
      2.714830E+01           2.045500E-02
      1.492560E+01           2.934900E-02
      8.316170E+00           2.669400E-02
      4.620860E+00          -6.059000E-03
      2.511380E+00          -7.354500E-02
      1.330910E+00          -1.194360E-01
      6.904150E-01          -1.247830E-01
      3.432070E-01           3.660500E-02
      1.458960E-01           3.728900E-01
      6.297100E-02           5.246490E-01
V    P
      2.692200E-02           1.000000E+00
V    P
      0.0115100              1.0000000
V    D
      2.984240E+02           2.180000E-04
      8.836650E+01           2.034000E-03
      3.405590E+01           1.057400E-02
      1.477990E+01           3.595500E-02
      6.829050E+00           9.350000E-02
      3.311090E+00           1.840370E-01
      1.628610E+00           2.662670E-01
      7.933930E-01           2.995840E-01
      3.788260E-01           2.628030E-01
      1.758620E-01           1.654210E-01
      7.885800E-02           5.803900E-02
V    D
      2.984240E+02          -5.620000E-04
      8.836650E+01          -6.230000E-03
      3.405590E+01          -2.934000E-02
      1.477990E+01          -1.257620E-01
      6.829050E+00          -3.358610E-01
      3.311090E+00          -4.112650E-01
      1.628610E+00           1.123024E+00
      7.933930E-01           9.425100E-02
      3.788260E-01          -1.693534E+00
      1.758620E-01           1.691371E+00
      7.885800E-02          -3.887260E-01
V    D
      2.984240E+02          -4.750000E-04
      8.836650E+01          -4.291000E-03
      3.405590E+01          -2.352100E-02
      1.477990E+01          -8.109300E-02
      6.829050E+00          -2.481480E-01
      3.311090E+00          -3.730460E-01
      1.628610E+00           7.381100E-02
      7.933930E-01           1.021419E+00
      3.788260E-01          -4.108180E-01
      1.758620E-01          -9.139110E-01
      7.885800E-02           7.099380E-01
V    D
      2.984240E+02          -3.590000E-04
      8.836650E+01          -3.351000E-03
      3.405590E+01          -1.770900E-02
      1.477990E+01          -6.148400E-02
      6.829050E+00          -1.696420E-01
      3.311090E+00          -3.066070E-01
      1.628610E+00          -2.499830E-01
      7.933930E-01           2.824440E-01
      3.788260E-01           6.731490E-01
      1.758620E-01          -7.853800E-02
      7.885800E-02          -5.838200E-01
V    D
      2.984240E+02          -2.300000E-04
      8.836650E+01          -2.154000E-03
      3.405590E+01          -1.123400E-02
      1.477990E+01          -3.854200E-02
      6.829050E+00          -1.027740E-01
      3.311090E+00          -1.981620E-01
      1.628610E+00          -2.518290E-01
      7.933930E-01          -1.612270E-01
      3.788260E-01           1.595380E-01
      1.758620E-01           4.593380E-01
      7.885800E-02           3.583680E-01
V    D
      3.338200E-02           1.000000E+00
V    D
      0.0141300              1.0000000
V    F
      4.691600E+00           1.000000E+00
V    F
      1.579100E+00           1.000000E+00
V    F
      5.315000E-01           1.000000E+00
V    F
      1.789000E-01           1.000000E+00
V    F
      0.0581200              1.0000000
V    G
      3.419500E+00           1.000000E+00
V    G
      1.103300E+00           1.000000E+00
V    G
      3.560000E-01           1.000000E+00
V    G
      0.1189300              1.0000000
V    H
      2.460900E+00           1.000000E+00
V    H
      7.002000E-01           1.000000E+00
V    H
      0.2504200              1.0000000
V    I
      1.575700E+00           1.0000000
V    I
      0.5895900              1.0000000
end
basis "Cr_aug-cc-pV5Z" SPHERICAL 
#basis SET: (218s,133p,57d,5f,4g,3h,2i) -> [10s,9p,7d,5f,4g,3h,2i]
Cr    S
      1.355400E+08           7.860909E-08
      2.424040E+07           5.230504E-07
      5.412270E+06           3.030869E-06
      1.447920E+06           1.388900E-05
      4.481990E+05           5.386079E-05
      1.558990E+05           1.826227E-04
      5.947960E+04           5.586325E-04
      2.440810E+04           1.576299E-03
      1.060700E+04           4.169939E-03
      4.823080E+03           1.042776E-02
      2.274080E+03           2.465857E-02
      1.104540E+03           5.448660E-02
      5.500990E+02           1.094152E-01
      2.800100E+02           1.893356E-01
      1.453300E+02           2.561724E-01
      7.675510E+01           2.268474E-01
      4.115940E+01           1.055708E-01
      2.234450E+01           5.199165E-02
      1.222930E+01           9.691052E-02
      6.707770E+00           9.468708E-02
      3.656940E+00           3.194821E-02
      1.959780E+00           2.931469E-03
      1.017580E+00           2.111193E-04
      5.129130E-01          -1.653905E-05
      1.947980E-01           4.265747E-06
      1.109690E-01           1.479579E-05
      5.212300E-02           2.379865E-05
Cr    S
      1.355400E+08          -4.393198E-08
      2.424040E+07          -2.923256E-07
      5.412270E+06          -1.693847E-06
      1.447920E+06          -7.762636E-06
      4.481990E+05          -3.010309E-05
      1.558990E+05          -1.020941E-04
      5.947960E+04          -3.124026E-04
      2.440810E+04          -8.824782E-04
      1.060700E+04          -2.339258E-03
      4.823080E+03          -5.877709E-03
      2.274080E+03          -1.402849E-02
      1.104540E+03          -3.159558E-02
      5.500990E+02          -6.581587E-02
      2.800100E+02          -1.223894E-01
      1.453300E+02          -1.904926E-01
      7.675510E+01          -2.170072E-01
      4.115940E+01          -1.173808E-01
      2.234450E+01           1.320872E-01
      1.222930E+01           4.300999E-01
      6.707770E+00           4.273569E-01
      3.656940E+00           1.441234E-01
      1.959780E+00           1.289772E-02
      1.017580E+00          -2.726576E-04
      5.129130E-01          -5.554224E-04
      1.947980E-01          -5.978166E-05
      1.109690E-01           1.017909E-04
      5.212300E-02           9.249085E-05
Cr    S
      1.355400E+08           9.262175E-09
      2.424040E+07           6.164427E-08
      5.412270E+06           3.570946E-07
      1.447920E+06           1.637074E-06
      4.481990E+05           6.346275E-06
      1.558990E+05           2.153698E-05
      5.947960E+04           6.588560E-05
      2.440810E+04           1.864046E-04
      1.060700E+04           4.945862E-04
      4.823080E+03           1.248762E-03
      2.274080E+03           3.000302E-03
      1.104540E+03           6.870641E-03
      5.500990E+02           1.470680E-02
      2.800100E+02           2.886345E-02
      1.453300E+02           4.902786E-02
      7.675510E+01           6.391156E-02
      4.115940E+01           3.765591E-02
      2.234450E+01          -6.346137E-02
      1.222930E+01          -2.572992E-01
      6.707770E+00          -3.772640E-01
      3.656940E+00          -1.060193E-01
      1.959780E+00           3.929518E-01
      1.017580E+00           5.959745E-01
      5.129130E-01           2.812188E-01
      1.947980E-01           2.272335E-02
      1.109690E-01          -4.227356E-03
      5.212300E-02           3.488431E-03
Cr    S
      1.355400E+08          -4.146642E-09
      2.424040E+07          -2.744623E-08
      5.412270E+06          -1.601135E-07
      1.447920E+06          -7.278668E-07
      4.481990E+05          -2.850853E-06
      1.558990E+05          -9.552888E-06
      5.947960E+04          -2.968205E-05
      2.440810E+04          -8.241072E-05
      1.060700E+04          -2.236203E-04
      4.823080E+03          -5.501076E-04
      2.274080E+03          -1.362231E-03
      1.104540E+03          -3.015736E-03
      5.500990E+02          -6.722274E-03
      2.800100E+02          -1.259995E-02
      1.453300E+02          -2.285648E-02
      7.675510E+01          -2.715659E-02
      4.115940E+01          -2.113804E-02
      2.234450E+01           3.721168E-02
      1.222930E+01           1.114359E-01
      6.707770E+00           2.314628E-01
      3.656940E+00          -4.161973E-03
      1.959780E+00          -2.449631E-01
      1.017580E+00          -7.360778E-01
      5.129130E-01           7.004895E-02
      1.947980E-01           1.277403E+00
      1.109690E-01           3.956614E-01
      5.212300E-02          -6.769812E-01
Cr    S
      1.355400E+08          -6.488897E-09
      2.424040E+07          -4.279886E-08
      5.412270E+06          -2.507932E-07
      1.447920E+06          -1.134012E-06
      4.481990E+05          -4.470662E-06
      1.558990E+05          -1.486072E-05
      5.947960E+04          -4.663092E-05
      2.440810E+04          -1.279315E-04
      1.060700E+04          -3.521084E-04
      4.823080E+03          -8.520213E-04
      2.274080E+03          -2.150678E-03
      1.104540E+03          -4.660657E-03
      5.500990E+02          -1.065980E-02
      2.800100E+02          -1.941515E-02
      1.453300E+02          -3.670850E-02
      7.675510E+01          -4.117897E-02
      4.115940E+01          -3.736427E-02
      2.234450E+01           6.683735E-02
      1.222930E+01           1.763321E-01
      6.707770E+00           4.399191E-01
      3.656940E+00          -9.880462E-02
      1.959780E+00          -7.255668E-01
      1.017580E+00          -1.370850E+00
      5.129130E-01           2.223355E+00
      1.947980E-01           1.308550E+00
      1.109690E-01          -2.714908E+00
      5.212300E-02           1.730143E-02
Cr    S
      1.355400E+08          -2.100265E-09
      2.424040E+07          -1.397942E-08
      5.412270E+06          -8.097196E-08
      1.447920E+06          -3.712563E-07
      4.481990E+05          -1.438993E-06
      1.558990E+05          -4.884352E-06
      5.947960E+04          -1.493879E-05
      2.440810E+04          -4.227739E-05
      1.060700E+04          -1.121405E-04
      4.823080E+03          -2.832662E-04
      2.274080E+03          -6.803672E-04
      1.104540E+03          -1.559223E-03
      5.500990E+02          -3.337304E-03
      2.800100E+02          -6.561113E-03
      1.453300E+02          -1.115752E-02
      7.675510E+01          -1.462359E-02
      4.115940E+01          -8.633298E-03
      2.234450E+01           1.464739E-02
      1.222930E+01           6.184511E-02
      6.707770E+00           9.478115E-02
      3.656940E+00           2.513425E-02
      1.959780E+00          -1.164814E-01
      1.017580E+00          -2.139959E-01
      5.129130E-01          -2.099994E-01
      1.947980E-01           1.313418E-02
      1.109690E-01           4.029770E-01
      5.212300E-02           5.574989E-01
Cr    S
      1.355400E+08          -8.057731E-09
      2.424040E+07          -5.449074E-08
      5.412270E+06          -3.092592E-07
      1.447920E+06          -1.452906E-06
      4.481990E+05          -5.465890E-06
      1.558990E+05          -1.924479E-05
      5.947960E+04          -5.626566E-05
      2.440810E+04          -1.681395E-04
      1.060700E+04          -4.180269E-04
      4.823080E+03          -1.138751E-03
      2.274080E+03          -2.509533E-03
      1.104540E+03          -6.353116E-03
      5.500990E+02          -1.215760E-02
      2.800100E+02          -2.751230E-02
      1.453300E+02          -3.944079E-02
      7.675510E+01          -6.872967E-02
      4.115940E+01          -1.402938E-02
      2.234450E+01           1.289964E-02
      1.222930E+01           4.202805E-01
      6.707770E+00           4.154218E-01
      3.656940E+00          -9.602780E-02
      1.959780E+00          -2.305631E+00
      1.017580E+00           1.018575E+00
      5.129130E-01           2.877673E+00
      1.947980E-01          -4.933352E+00
      1.109690E-01           2.062670E+00
      5.212300E-02           2.316184E+00
Cr    S
      1.355400E+08          -1.001431E-08
      2.424040E+07          -6.926624E-08
      5.412270E+06          -3.815845E-07
      1.447920E+06          -1.858014E-06
      4.481990E+05          -6.687000E-06
      1.558990E+05          -2.484929E-05
      5.947960E+04          -6.793021E-05
      2.440810E+04          -2.199380E-04
      1.060700E+04          -4.963362E-04
      4.823080E+03          -1.510983E-03
      2.274080E+03          -2.926739E-03
      1.104540E+03          -8.574245E-03
      5.500990E+02          -1.384885E-02
      2.800100E+02          -3.834684E-02
      1.453300E+02          -4.190377E-02
      7.675510E+01          -1.070907E-01
      4.115940E+01           2.132387E-02
      2.234450E+01          -5.710773E-02
      1.222930E+01           7.753646E-01
      6.707770E+00           4.421097E-01
      3.656940E+00          -6.606407E-01
      1.959780E+00          -4.452594E+00
      1.017580E+00           8.692094E+00
      5.129130E-01          -5.939279E+00
      1.947980E-01          -8.400572E-01
      1.109690E-01           5.718116E+00
      5.212300E-02          -5.794166E+00
Cr    S
      2.448900E-02           1.000000E+00
Cr    S
      0.0115100              1.0000000
Cr    P
      7.202960E+04           3.000000E-06
      1.789090E+04           2.200000E-05
      5.678280E+03           1.370000E-04
      2.138750E+03           6.440000E-04
      9.058550E+02           2.511000E-03
      4.156450E+02           8.447000E-03
      2.016950E+02           2.486200E-02
      1.020400E+02           6.370500E-02
      5.339550E+01           1.366080E-01
      2.875700E+01           2.321020E-01
      1.585360E+01           3.023570E-01
      8.863850E+00           2.683220E-01
      4.943340E+00           1.288470E-01
      2.697320E+00           2.401400E-02
      1.436430E+00          -2.360000E-04
      7.485180E-01          -1.291000E-03
      3.733100E-01          -5.730000E-04
      1.577120E-01          -3.300000E-05
      6.748400E-02          -7.000000E-06
Cr    P
      7.202960E+04          -1.000000E-06
      1.789090E+04          -8.000000E-06
      5.678280E+03          -4.700000E-05
      2.138750E+03          -2.230000E-04
      9.058550E+02          -8.720000E-04
      4.156450E+02          -2.947000E-03
      2.016950E+02          -8.771000E-03
      1.020400E+02          -2.291400E-02
      5.339550E+01          -5.066700E-02
      2.875700E+01          -8.911600E-02
      1.585360E+01          -1.223120E-01
      8.863850E+00          -1.067880E-01
      4.943340E+00           3.261800E-02
      2.697320E+00           2.616090E-01
      1.436430E+00           4.013360E-01
      7.485180E-01           3.272510E-01
      3.733100E-01           1.195440E-01
      1.577120E-01           1.051000E-02
      6.748400E-02           2.930000E-04
Cr    P
      7.202960E+04          -1.000000E-06
      1.789090E+04          -7.000000E-06
      5.678280E+03          -5.900000E-05
      2.138750E+03          -2.150000E-04
      9.058550E+02          -1.075000E-03
      4.156450E+02          -2.871000E-03
      2.016950E+02          -1.088500E-02
      1.020400E+02          -2.240700E-02
      5.339550E+01          -6.552500E-02
      2.875700E+01          -8.171900E-02
      1.585360E+01          -1.939850E-01
      8.863850E+00          -1.416950E-01
      4.943340E+00           2.081580E-01
      2.697320E+00           1.648843E+00
      1.436430E+00          -1.446218E+00
      7.485180E-01          -1.846291E+00
      3.733100E-01           3.635812E+00
      1.577120E-01          -2.744969E+00
      6.748400E-02           9.609530E-01
Cr    P
      7.202960E+04           1.000000E-06
      1.789090E+04           5.000000E-06
      5.678280E+03           3.100000E-05
      2.138750E+03           1.350000E-04
      9.058550E+02           5.720000E-04
      4.156450E+02           1.792000E-03
      2.016950E+02           5.755000E-03
      1.020400E+02           1.392100E-02
      5.339550E+01           3.366000E-02
      2.875700E+01           5.334000E-02
      1.585360E+01           8.832400E-02
      8.863850E+00           6.067200E-02
      4.943340E+00          -5.513000E-03
      2.697320E+00          -2.993800E-01
      1.436430E+00          -4.021920E-01
      7.485180E-01          -1.927060E-01
      3.733100E-01           1.239407E+00
      1.577120E-01           1.442260E-01
      6.748400E-02          -8.307840E-01
Cr    P
      7.202960E+04           1.000000E-06
      1.789090E+04           7.000000E-06
      5.678280E+03           3.500000E-05
      2.138750E+03           2.020000E-04
      9.058550E+02           6.460000E-04
      4.156450E+02           2.665000E-03
      2.016950E+02           6.493000E-03
      1.020400E+02           2.087300E-02
      5.339550E+01           3.669200E-02
      2.875700E+01           8.631300E-02
      1.585360E+01           8.250400E-02
      8.863850E+00           1.830400E-01
      4.943340E+00          -1.524300E-01
      2.697320E+00          -4.989330E-01
      1.436430E+00          -9.010930E-01
      7.485180E-01           1.931139E+00
      3.733100E-01          -8.287000E-03
      1.577120E-01          -1.725231E+00
      6.748400E-02           1.143110E+00
Cr    P
      1.789090E+04           2.000000E-06
      5.678280E+03           1.400000E-05
      2.138750E+03           6.700000E-05
      9.058550E+02           2.620000E-04
      4.156450E+02           8.810000E-04
      2.016950E+02           2.635000E-03
      1.020400E+02           6.859000E-03
      5.339550E+01           1.528100E-02
      2.875700E+01           2.680000E-02
      1.585360E+01           3.746900E-02
      8.863850E+00           3.225800E-02
      4.943340E+00          -1.241600E-02
      2.697320E+00          -9.434200E-02
      1.436430E+00          -1.479450E-01
      7.485180E-01          -1.595740E-01
      3.733100E-01           4.226400E-02
      1.577120E-01           6.008800E-01
      6.748400E-02           4.537120E-01
Cr    P
      1.789090E+04          -2.000000E-06
      5.678280E+03          -1.100000E-05
      2.138750E+03          -5.200000E-05
      9.058550E+02          -2.070000E-04
      4.156450E+02          -6.930000E-04
      2.016950E+02          -2.082000E-03
      1.020400E+02          -5.405000E-03
      5.339550E+01          -1.209400E-02
      2.875700E+01          -2.109800E-02
      1.585360E+01          -2.969800E-02
      8.863850E+00          -2.504700E-02
      4.943340E+00           1.028200E-02
      2.697320E+00           7.688800E-02
      1.436430E+00           1.173220E-01
      7.485180E-01           1.163280E-01
      3.733100E-01          -4.505200E-02
      1.577120E-01          -3.724610E-01
      6.748400E-02          -5.207620E-01
Cr    P
      2.859500E-02           1.000000E+00
Cr    P
      0.0121200              1.0000000
Cr    D
      3.843240E+02           1.660000E-04
      1.156210E+02           1.533000E-03
      4.484780E+01           8.273000E-03
      1.961290E+01           2.962800E-02
      9.100830E+00           8.043200E-02
      4.418320E+00           1.682550E-01
      2.182870E+00           2.573470E-01
      1.068400E+00           3.013010E-01
      5.106240E-01           2.754300E-01
      2.351410E-01           1.820770E-01
      1.028360E-01           6.753400E-02
Cr    D
      3.843240E+02           4.530000E-04
      1.156210E+02           4.853000E-03
      4.484780E+01           2.415500E-02
      1.961290E+01           1.054670E-01
      9.100830E+00           3.238140E-01
      4.418320E+00           4.542210E-01
      2.182870E+00          -1.009370E+00
      1.068400E+00          -3.428410E-01
      5.106240E-01           1.830297E+00
      2.351410E-01          -1.631699E+00
      1.028360E-01           3.024500E-01
Cr    D
      3.843240E+02          -3.980000E-04
      1.156210E+02          -3.488000E-03
      4.484780E+01          -2.024800E-02
      1.961290E+01          -7.195400E-02
      9.100830E+00          -2.362580E-01
      4.418320E+00          -4.094040E-01
      2.182870E+00           1.674000E-02
      1.068400E+00           1.007032E+00
      5.106240E-01          -2.422900E-01
      2.351410E-01          -1.004623E+00
      1.028360E-01           6.909580E-01
Cr    D
      3.843240E+02          -1.870000E-04
      1.156210E+02          -1.736000E-03
      4.484780E+01          -9.425000E-03
      1.961290E+01          -3.396900E-02
      9.100830E+00          -9.496200E-02
      4.418320E+00          -1.972130E-01
      2.182870E+00          -2.639680E-01
      1.068400E+00          -1.771220E-01
      5.106240E-01           1.388050E-01
      2.351410E-01           4.526330E-01
      1.028360E-01           3.742040E-01
Cr    D
      3.843240E+02          -2.700000E-04
      1.156210E+02          -2.491000E-03
      4.484780E+01          -1.369000E-02
      1.961290E+01          -4.975200E-02
      9.100830E+00          -1.445960E-01
      4.418320E+00          -2.922080E-01
      2.182870E+00          -2.774690E-01
      1.068400E+00           2.057700E-01
      5.106240E-01           6.868800E-01
      2.351410E-01           6.800000E-03
      1.028360E-01          -6.314930E-01
Cr    D
      4.142500E-02           1.000000E+00
Cr    D
      0.0166900              1.0000000
Cr    F
      5.623600E+00           1.000000E+00
Cr    F
      1.903900E+00           1.000000E+00
Cr    F
      6.445000E-01           1.000000E+00
Cr    F
      2.182000E-01           1.000000E+00
Cr    F
      0.0710200              1.0000000
Cr    G
      4.112100E+00           1.000000E+00
Cr    G
      1.332500E+00           1.000000E+00
Cr    G
      4.318000E-01           1.000000E+00
Cr    G
      0.1482600              1.0000000
Cr    H
      3.006700E+00           1.000000E+00
Cr    H
      8.770000E-01           1.000000E+00
Cr    H
      0.3265100              1.0000000
Cr    I
      2.113100E+00           1.0000000
Cr    I
      0.8588900              1.0000000
end
basis "Mn_aug-cc-pV5Z" SPHERICAL 
#basis SET: (218s,133p,57d,5f,4g,3h,2i) -> [10s,9p,7d,5f,4g,3h,2i]
Mn    S
      1.377660E+08           8.842975E-08
      2.456400E+07           5.905615E-07
      5.479990E+06           3.421330E-06
      1.466640E+06           1.566036E-05
      4.544210E+05           6.063846E-05
      1.582160E+05           2.053663E-04
      6.040430E+04           6.278180E-04
      2.479360E+04           1.771534E-03
      1.077230E+04           4.687682E-03
      4.895540E+03           1.172341E-02
      2.306560E+03           2.769121E-02
      1.119560E+03           6.096465E-02
      5.573810E+02           1.213985E-01
      2.837780E+02           2.067236E-01
      1.474360E+02           2.716552E-01
      7.802270E+01           2.296262E-01
      4.196790E+01           9.993531E-02
      2.287780E+01           4.335678E-02
      1.258450E+01           7.097637E-02
      6.941700E+00           6.195771E-02
      3.806290E+00           1.878693E-02
      2.050310E+00           1.455711E-03
      1.068380E+00          -5.045613E-05
      5.366060E-01          -8.380837E-05
      1.832600E-01          -9.776338E-07
      1.052970E-01           9.779516E-06
      5.146400E-02           1.146026E-05
Mn    S
      1.377660E+08          -4.218706E-08
      2.456400E+07          -2.817388E-07
      5.479990E+06          -1.632223E-06
      1.466640E+06          -7.471311E-06
      4.544210E+05          -2.893181E-05
      1.582160E+05          -9.800407E-05
      6.040430E+04          -2.997548E-04
      2.479360E+04          -8.468121E-04
      1.077230E+04          -2.246523E-03
      4.895540E+03          -5.649008E-03
      2.306560E+03          -1.349329E-02
      1.119560E+03          -3.037651E-02
      5.573810E+02          -6.317168E-02
      2.837780E+02          -1.169586E-01
      1.474360E+02          -1.804917E-01
      7.802270E+01          -1.999569E-01
      4.196790E+01          -9.135649E-02
      2.287780E+01           1.705224E-01
      1.258450E+01           4.562984E-01
      6.941700E+00           4.058134E-01
      3.806290E+00           1.228205E-01
      2.050310E+00           9.020458E-03
      1.068380E+00          -1.825436E-03
      5.366060E-01          -1.093262E-03
      1.832600E-01          -8.298619E-05
      1.052970E-01           1.053172E-04
      5.146400E-02           5.625668E-05
Mn    S
      1.377660E+08           1.015457E-08
      2.456400E+07           6.782945E-08
      5.479990E+06           3.928614E-07
      1.466640E+06           1.798871E-06
      4.544210E+05           6.963577E-06
      1.582160E+05           2.360275E-05
      6.040430E+04           7.217248E-05
      2.479360E+04           2.041835E-04
      1.077230E+04           5.421183E-04
      4.895540E+03           1.369241E-03
      2.306560E+03           3.290005E-03
      1.119560E+03           7.518812E-03
      5.573810E+02           1.602116E-02
      2.837780E+02           3.113189E-02
      1.474360E+02           5.187931E-02
      7.802270E+01           6.455440E-02
      4.196790E+01           3.109453E-02
      2.287780E+01          -8.134397E-02
      1.258450E+01          -2.830847E-01
      6.941700E+00          -3.683282E-01
      3.806290E+00          -5.599023E-02
      2.050310E+00           4.285509E-01
      1.068380E+00           5.819623E-01
      5.366060E-01           2.496080E-01
      1.832600E-01           1.728022E-02
      1.052970E-01          -4.795031E-03
      5.146400E-02           3.440433E-03
Mn    S
      1.377660E+08          -4.534252E-09
      2.456400E+07          -3.003406E-08
      5.479990E+06          -1.758309E-07
      1.466640E+06          -7.947986E-07
      4.544210E+05          -3.125609E-06
      1.582160E+05          -1.039025E-05
      6.040430E+04          -3.253639E-05
      2.479360E+04          -8.943434E-05
      1.077230E+04          -2.457164E-04
      4.895540E+03          -5.964197E-04
      2.306560E+03          -1.500461E-03
      1.119560E+03          -3.255209E-03
      5.573810E+02          -7.379623E-03
      2.837780E+02          -1.333239E-02
      1.474360E+02          -2.461735E-02
      7.802270E+01          -2.607861E-02
      4.196790E+01          -2.088826E-02
      2.287780E+01           5.123107E-02
      1.258450E+01           1.130295E-01
      6.941700E+00           2.466771E-01
      3.806290E+00          -6.508546E-02
      2.050310E+00          -2.324403E-01
      1.068380E+00          -7.884686E-01
      5.366060E-01           2.571250E-01
      1.832600E-01           1.473500E+00
      1.052970E-01          -1.641997E-02
      5.146400E-02          -6.176794E-01
Mn    S
      1.377660E+08          -7.148000E-09
      2.456400E+07          -4.720068E-08
      5.479990E+06          -2.774238E-07
      1.466640E+06          -1.248083E-06
      4.544210E+05          -4.936711E-06
      1.582160E+05          -1.629371E-05
      6.040430E+04          -5.147115E-05
      2.479360E+04          -1.399872E-04
      1.077230E+04          -3.894882E-04
      4.895540E+03          -9.316701E-04
      2.306560E+03          -2.384126E-03
      1.119560E+03          -5.075251E-03
      5.573810E+02          -1.177533E-02
      2.837780E+02          -2.073168E-02
      1.474360E+02          -3.978041E-02
      7.802270E+01          -3.983610E-02
      4.196790E+01          -3.723219E-02
      2.287780E+01           9.006454E-02
      1.258450E+01           1.833979E-01
      6.941700E+00           4.676477E-01
      3.806290E+00          -2.128283E-01
      2.050310E+00          -7.680324E-01
      1.068380E+00          -1.249617E+00
      5.366060E-01           2.412797E+00
      1.832600E-01           7.227795E-01
      1.052970E-01          -2.521843E+00
      5.146400E-02           3.302503E-01
Mn    S
      1.377660E+08          -2.246625E-09
      2.456400E+07          -1.500767E-08
      5.479990E+06          -8.691633E-08
      1.466640E+06          -3.980171E-07
      4.544210E+05          -1.540586E-06
      1.582160E+05          -5.222482E-06
      6.040430E+04          -1.596671E-05
      2.479360E+04          -4.518135E-05
      1.077230E+04          -1.199336E-04
      4.895540E+03          -3.030247E-04
      2.306560E+03          -7.279695E-04
      1.119560E+03          -1.664739E-03
      5.573810E+02          -3.547631E-03
      2.837780E+02          -6.904790E-03
      1.474360E+02          -1.152342E-02
      7.802270E+01          -1.441381E-02
      4.196790E+01          -6.961783E-03
      2.287780E+01           1.838929E-02
      1.258450E+01           6.658310E-02
      6.941700E+00           9.026754E-02
      3.806290E+00           1.114062E-02
      2.050310E+00          -1.232779E-01
      1.068380E+00          -2.094592E-01
      5.366060E-01          -1.925129E-01
      1.832600E-01           7.524310E-02
      1.052970E-01           4.096457E-01
      5.146400E-02           5.138881E-01
Mn    S
      1.377660E+08           8.949441E-09
      2.456400E+07           6.110750E-08
      5.479990E+06           3.441033E-07
      1.466640E+06           1.629580E-06
      4.544210E+05           6.052563E-06
      1.582160E+05           2.158213E-05
      6.040430E+04           6.199578E-05
      2.479360E+04           1.890931E-04
      1.077230E+04           4.590406E-04
      4.895540E+03           1.286601E-03
      2.306560E+03           2.744429E-03
      1.119560E+03           7.197225E-03
      5.573810E+02           1.311149E-02
      2.837780E+02           3.103962E-02
      1.474360E+02           4.028608E-02
      7.802270E+01           7.611996E-02
      4.196790E+01          -3.929039E-03
      2.287780E+01          -8.212308E-03
      1.258450E+01          -5.082019E-01
      6.941700E+00          -3.343452E-01
      3.806290E+00           8.969441E-02
      2.050310E+00           2.788472E+00
      1.068380E+00          -2.238707E+00
      5.366060E-01          -1.621514E+00
      1.832600E-01           5.050226E+00
      1.052970E-01          -3.458040E+00
      5.146400E-02          -1.285068E+00
Mn    S
      1.377660E+08          -1.066381E-08
      2.456400E+07          -7.316027E-08
      5.479990E+06          -4.095669E-07
      1.466640E+06          -1.952973E-06
      4.544210E+05          -7.192587E-06
      1.582160E+05          -2.591346E-05
      6.040430E+04          -7.349070E-05
      2.479360E+04          -2.276235E-04
      1.077230E+04          -5.425268E-04
      4.895540E+03          -1.553473E-03
      2.306560E+03          -3.235321E-03
      1.119560E+03          -8.728688E-03
      5.573810E+02          -1.543349E-02
      2.837780E+02          -3.803991E-02
      1.474360E+02          -4.719394E-02
      7.802270E+01          -9.654593E-02
      4.196790E+01           1.102053E-02
      2.287780E+01           2.268643E-03
      1.258450E+01           7.235714E-01
      6.941700E+00           6.284262E-01
      3.806290E+00          -1.386873E+00
      2.050310E+00          -3.618230E+00
      1.068380E+00           8.747224E+00
      5.366060E-01          -6.944693E+00
      1.832600E-01           1.920404E+00
      1.052970E-01           2.767324E+00
      5.146400E-02          -4.803418E+00
Mn    S
      2.467800E-02           1.000000E+00
Mn    S
      0.0118300              1.0000000
Mn    P
      7.929680E+04           3.000000E-06
      1.931710E+04           2.300000E-05
      6.114100E+03           1.400000E-04
      2.316260E+03           6.490000E-04
      9.896900E+02           2.490000E-03
      4.579420E+02           8.278000E-03
      2.236420E+02           2.425600E-02
      1.135940E+02           6.226300E-02
      5.956210E+01           1.344250E-01
      3.210720E+01           2.305460E-01
      1.771030E+01           3.028020E-01
      9.906210E+00           2.709290E-01
      5.522430E+00           1.311240E-01
      3.008320E+00           2.387600E-02
      1.598730E+00          -1.333000E-03
      8.308680E-01          -2.201000E-03
      4.135380E-01          -8.920000E-04
      1.711080E-01          -5.800000E-05
      7.216600E-02          -6.000000E-06
Mn    P
      7.929680E+04          -1.000000E-06
      1.931710E+04          -8.000000E-06
      6.114100E+03          -4.900000E-05
      2.316260E+03          -2.260000E-04
      9.896900E+02          -8.670000E-04
      4.579420E+02          -2.899000E-03
      2.236420E+02          -8.588000E-03
      1.135940E+02          -2.248100E-02
      5.956210E+01          -5.006300E-02
      3.210720E+01          -8.900500E-02
      1.771030E+01          -1.231560E-01
      9.906210E+00          -1.081330E-01
      5.522430E+00           3.309100E-02
      3.008320E+00           2.649160E-01
      1.598730E+00           4.034830E-01
      8.308680E-01           3.248540E-01
      4.135380E-01           1.174300E-01
      1.711080E-01           1.011600E-02
      7.216600E-02           1.390000E-04
Mn    P
      7.929680E+04          -1.000000E-06
      1.931710E+04          -9.000000E-06
      6.114100E+03          -6.100000E-05
      2.316260E+03          -2.580000E-04
      9.896900E+02          -1.090000E-03
      4.579420E+02          -3.336000E-03
      2.236420E+02          -1.087900E-02
      1.135940E+02          -2.621700E-02
      5.956210E+01          -6.514200E-02
      3.210720E+01          -1.036590E-01
      1.771030E+01          -1.798150E-01
      9.906210E+00          -2.372120E-01
      5.522430E+00           4.289330E-01
      3.008320E+00           1.715945E+00
      1.598730E+00          -2.188943E+00
      8.308680E-01          -7.886070E-01
      4.135380E-01           2.904550E+00
      1.711080E-01          -2.497538E+00
      7.216600E-02           9.969160E-01
Mn    P
      7.929680E+04           1.000000E-06
      1.931710E+04           5.000000E-06
      6.114100E+03           3.400000E-05
      2.316260E+03           1.430000E-04
      9.896900E+02           5.980000E-04
      4.579420E+02           1.836000E-03
      2.236420E+02           5.926000E-03
      1.135940E+02           1.424700E-02
      5.956210E+01           3.496600E-02
      3.210720E+01           5.553900E-02
      1.771030E+01           9.322800E-02
      9.906210E+00           6.374800E-02
      5.522430E+00          -4.820000E-03
      3.008320E+00          -3.313960E-01
      1.598730E+00          -4.086080E-01
      8.308680E-01          -1.206320E-01
      4.135380E-01           1.213053E+00
      1.711080E-01           8.342200E-02
      7.216600E-02          -7.984570E-01
Mn    P
      7.929680E+04           1.000000E-06
      1.931710E+04           8.000000E-06
      6.114100E+03           3.800000E-05
      2.316260E+03           2.180000E-04
      9.896900E+02           6.870000E-04
      4.579420E+02           2.805000E-03
      2.236420E+02           6.819000E-03
      1.135940E+02           2.191700E-02
      5.956210E+01           3.917300E-02
      3.210720E+01           9.167300E-02
      1.771030E+01           8.898900E-02
      9.906210E+00           1.938430E-01
      5.522430E+00          -1.670910E-01
      3.008320E+00          -6.030080E-01
      1.598730E+00          -7.469800E-01
      8.308680E-01           1.986465E+00
      4.135380E-01          -2.640370E-01
      1.711080E-01          -1.527820E+00
      7.216600E-02           1.110277E+00
Mn    P
      1.931710E+04           2.000000E-06
      6.114100E+03           1.500000E-05
      2.316260E+03           6.900000E-05
      9.896900E+02           2.680000E-04
      4.579420E+02           8.870000E-04
      2.236420E+02           2.651000E-03
      1.135940E+02           6.887000E-03
      5.956210E+01           1.551800E-02
      3.210720E+01           2.735900E-02
      1.771030E+01           3.886200E-02
      9.906210E+00           3.312400E-02
      5.522430E+00          -1.232200E-02
      3.008320E+00          -9.938200E-02
      1.598730E+00          -1.521070E-01
      8.308680E-01          -1.564310E-01
      4.135380E-01           6.500500E-02
      1.711080E-01           6.060200E-01
      7.216600E-02           4.366030E-01
Mn    P
      1.931710E+04          -2.000000E-06
      6.114100E+03          -1.100000E-05
      2.316260E+03          -5.200000E-05
      9.896900E+02          -2.010000E-04
      4.579420E+02          -6.640000E-04
      2.236420E+02          -1.989000E-03
      1.135940E+02          -5.163000E-03
      5.956210E+01          -1.165300E-02
      3.210720E+01          -2.049900E-02
      1.771030E+01          -2.915100E-02
      9.906210E+00          -2.461500E-02
      5.522430E+00           9.715000E-03
      3.008320E+00           7.544100E-02
      1.598730E+00           1.132040E-01
      8.308680E-01           1.117760E-01
      4.135380E-01          -4.406900E-02
      1.711080E-01          -3.663240E-01
      7.216600E-02          -5.217500E-01
Mn    P
      3.016500E-02           1.000000E+00
Mn    P
      0.0126100              1.0000000
Mn    D
      4.351000E+02           1.640000E-04
      1.309820E+02           1.522000E-03
      5.088160E+01           8.273000E-03
      2.230080E+01           3.000900E-02
      1.035520E+01           8.258000E-02
      5.015210E+00           1.735770E-01
      2.467930E+00           2.626510E-01
      1.203690E+00           2.984790E-01
      5.741520E-01           2.656810E-01
      2.641140E-01           1.802830E-01
      1.151280E-01           7.661300E-02
Mn    D
      4.351000E+02          -3.350000E-04
      1.309820E+02          -3.117000E-03
      5.088160E+01          -1.735100E-02
      2.230080E+01          -6.442800E-02
      1.035520E+01          -2.031970E-01
      5.015210E+00          -4.122630E-01
      2.467930E+00          -1.044800E-02
      1.203690E+00           9.383060E-01
      5.741520E-01          -1.067180E-01
      2.641140E-01          -9.815340E-01
      1.151280E-01           4.637150E-01
Mn    D
      4.351000E+02          -2.640000E-04
      1.309820E+02          -2.465000E-03
      5.088160E+01          -1.357900E-02
      2.230080E+01          -5.013400E-02
      1.035520E+01          -1.470570E-01
      5.015210E+00          -3.005680E-01
      2.467930E+00          -2.747340E-01
      1.203690E+00           1.995370E-01
      5.741520E-01           6.304240E-01
      2.641140E-01           9.364800E-02
      1.151280E-01          -5.780320E-01
Mn    D
      4.351000E+02          -1.670000E-04
      1.309820E+02          -1.552000E-03
      5.088160E+01          -8.465000E-03
      2.230080E+01          -3.087900E-02
      1.035520E+01          -8.697400E-02
      5.015210E+00          -1.838990E-01
      2.467930E+00          -2.523340E-01
      1.203690E+00          -1.705240E-01
      5.741520E-01           1.226330E-01
      2.641140E-01           4.216570E-01
      1.151280E-01           4.069480E-01
Mn    D
      4.351000E+02           4.280000E-04
      1.309820E+02           4.065000E-03
      5.088160E+01           2.248000E-02
      2.230080E+01           8.819600E-02
      1.035520E+01           3.015230E-01
      5.015210E+00           4.548760E-01
      2.467930E+00          -8.562740E-01
      1.203690E+00          -4.854470E-01
      5.741520E-01           1.609704E+00
      2.641140E-01          -1.000205E+00
      1.151280E-01          -3.451560E-01
Mn    D
      4.608200E-02           1.000000E+00
Mn    D
      0.0184500              1.0000000
Mn    F
      6.560100E+00           1.000000E+00
Mn    F
      2.249000E+00           1.000000E+00
Mn    F
      7.710000E-01           1.000000E+00
Mn    F
      2.643000E-01           1.000000E+00
Mn    F
      0.0875300              1.0000000
Mn    G
      4.937200E+00           1.000000E+00
Mn    G
      1.633000E+00           1.000000E+00
Mn    G
      5.401000E-01           1.000000E+00
Mn    G
      0.1925300              1.0000000
Mn    H
      3.588900E+00           1.000000E+00
Mn    H
      1.079300E+00           1.000000E+00
Mn    H
      0.4178700              1.0000000
Mn    I
      2.605200E+00           1.0000000
Mn    I
      1.1122100              1.0000000
end
basis "Fe_aug-cc-pV5Z" SPHERICAL 
#basis SET: (218s,133p,57d,5f,4g,3h,2i) -> [10s,9p,7d,5f,4g,3h,2i]
Fe    S
      1.497690E+08           8.657560E-08
      2.672250E+07           5.779120E-07
      5.959000E+06           3.351645E-06
      1.593610E+06           1.535765E-05
      4.934640E+05           5.949690E-05
      1.717900E+05           2.014152E-04
      6.562090E+04           6.149037E-04
      2.696560E+04           1.731321E-03
      1.173530E+04           4.569368E-03
      5.343430E+03           1.139791E-02
      2.522500E+03           2.686784E-02
      1.226430E+03           5.910762E-02
      6.112690E+02           1.178426E-01
      3.113080E+02           2.013762E-01
      1.616240E+02           2.660774E-01
      8.537670E+01           2.259862E-01
      4.579110E+01           9.893890E-02
      2.486770E+01           4.932559E-02
      1.362020E+01           8.604376E-02
      7.481060E+00           7.322462E-02
      4.088170E+00           2.117450E-02
      2.199050E+00           1.623143E-03
      1.148150E+00           1.197242E-06
      5.772650E-01          -5.963673E-05
      1.976350E-01          -7.981802E-07
      1.089860E-01           9.664711E-06
      5.321600E-02           9.132200E-06
Fe    S
      1.497690E+08          -4.466833E-08
      2.672250E+07          -2.981708E-07
      5.959000E+06          -1.729284E-06
      1.593610E+06          -7.923933E-06
      4.934640E+05          -3.070041E-05
      1.717900E+05          -1.039495E-04
      6.562090E+04          -3.175045E-04
      2.696560E+04          -8.949487E-04
      1.173530E+04          -2.367812E-03
      5.343430E+03          -5.936926E-03
      2.522500E+03          -1.414486E-02
      1.226430E+03          -3.178413E-02
      6.112690E+02          -6.604630E-02
      3.113080E+02          -1.222703E-01
      1.616240E+02          -1.886920E-01
      8.537670E+01          -2.090970E-01
      4.579110E+01          -9.698896E-02
      2.486770E+01           1.731916E-01
      1.362020E+01           4.624772E-01
      7.481060E+00           3.998340E-01
      4.088170E+00           1.152408E-01
      2.199050E+00           8.408747E-03
      1.148150E+00          -1.296910E-03
      5.772650E-01          -7.550238E-04
      1.976350E-01          -6.907416E-05
      1.089860E-01           8.777604E-05
      5.321600E-02           3.250702E-05
Fe    S
      1.497690E+08           1.025471E-08
      2.672250E+07           6.846679E-08
      5.959000E+06           3.969790E-07
      1.593610E+06           1.819651E-06
      4.934640E+05           7.047651E-06
      1.717900E+05           2.387774E-05
      6.562090E+04           7.291472E-05
      2.696560E+04           2.058392E-04
      1.173530E+04           5.451035E-04
      5.343430E+03           1.373278E-03
      2.522500E+03           3.293117E-03
      1.226430E+03           7.520746E-03
      6.112690E+02           1.604652E-02
      3.113080E+02           3.130265E-02
      1.616240E+02           5.252865E-02
      8.537670E+01           6.605295E-02
      4.579110E+01           3.249377E-02
      2.486770E+01          -8.476809E-02
      1.362020E+01          -2.950180E-01
      7.481060E+00          -3.709547E-01
      4.088170E+00          -3.464813E-02
      2.199050E+00           4.462486E-01
      1.148150E+00           5.717586E-01
      5.772650E-01           2.348678E-01
      1.976350E-01           1.506233E-02
      1.089860E-01          -3.437339E-03
      5.321600E-02           3.254188E-03
Fe    S
      1.497690E+08          -4.424824E-09
      2.672250E+07          -2.930792E-08
      5.959000E+06          -1.716710E-07
      1.593610E+06          -7.773320E-07
      4.934640E+05          -3.056040E-06
      1.717900E+05          -1.016453E-05
      6.562090E+04          -3.175112E-05
      2.696560E+04          -8.719808E-05
      1.173530E+04          -2.386228E-04
      5.343430E+03          -5.786208E-04
      2.522500E+03          -1.450243E-03
      1.226430E+03          -3.150862E-03
      6.112690E+02          -7.132634E-03
      3.113080E+02          -1.299059E-02
      1.616240E+02          -2.399757E-02
      8.537670E+01          -2.606463E-02
      4.579110E+01          -2.037216E-02
      2.486770E+01           5.015681E-02
      1.362020E+01           1.171966E-01
      7.481060E+00           2.376384E-01
      4.088170E+00          -7.287353E-02
      2.199050E+00          -2.495889E-01
      1.148150E+00          -7.317222E-01
      5.772650E-01           2.562426E-01
      1.976350E-01           1.356061E+00
      1.089860E-01           5.874061E-02
      5.321600E-02          -5.623917E-01
Fe    S
      1.497690E+08          -7.310611E-09
      2.672250E+07          -4.824191E-08
      5.959000E+06          -2.839212E-07
      1.593610E+06          -1.278290E-06
      4.934640E+05          -5.060659E-06
      1.717900E+05          -1.668750E-05
      6.562090E+04          -5.268054E-05
      2.696560E+04          -1.428269E-04
      1.173530E+04          -3.968842E-04
      5.343430E+03          -9.453497E-04
      2.522500E+03          -2.419017E-03
      1.226430E+03          -5.134981E-03
      6.112690E+02          -1.195244E-02
      3.113080E+02          -2.109359E-02
      1.616240E+02          -4.075824E-02
      8.537670E+01          -4.137104E-02
      4.579110E+01          -3.873370E-02
      2.486770E+01           9.345579E-02
      1.362020E+01           1.922005E-01
      7.481060E+00           4.898034E-01
      4.088170E+00          -2.420892E-01
      2.199050E+00          -8.764617E-01
      1.148150E+00          -1.074452E+00
      5.772650E-01           2.351773E+00
      1.976350E-01           5.240434E-01
      1.089860E-01          -2.251726E+00
      5.321600E-02           2.695895E-01
Fe    S
      1.497690E+08          -2.217427E-09
      2.672250E+07          -1.480595E-08
      5.959000E+06          -8.583901E-08
      1.593610E+06          -3.935070E-07
      4.934640E+05          -1.523883E-06
      1.717900E+05          -5.163835E-06
      6.562090E+04          -1.576558E-05
      2.696560E+04          -4.451792E-05
      1.173530E+04          -1.178620E-04
      5.343430E+03          -2.970506E-04
      2.522500E+03          -7.121500E-04
      1.226430E+03          -1.627578E-03
      6.112690E+02          -3.472813E-03
      3.113080E+02          -6.786387E-03
      1.616240E+02          -1.140447E-02
      8.537670E+01          -1.442020E-02
      4.579110E+01          -7.112199E-03
      2.486770E+01           1.875196E-02
      1.362020E+01           6.800067E-02
      7.481060E+00           8.897549E-02
      4.088170E+00           5.375665E-03
      2.199050E+00          -1.262455E-01
      1.148150E+00          -2.047776E-01
      5.772650E-01          -1.813373E-01
      1.976350E-01           8.926755E-02
      1.089860E-01           4.152351E-01
      5.321600E-02           4.980481E-01
Fe    S
      1.497690E+08           9.015017E-09
      2.672250E+07           6.106675E-08
      5.959000E+06           3.475829E-07
      1.593610E+06           1.628897E-06
      4.934640E+05           6.139742E-06
      1.717900E+05           2.150851E-05
      6.562090E+04           6.302967E-05
      2.696560E+04           1.870318E-04
      1.173530E+04           4.667623E-04
      5.343430E+03           1.260398E-03
      2.522500E+03           2.793658E-03
      1.226430E+03           6.992930E-03
      6.112690E+02           1.347323E-02
      3.113080E+02           2.996288E-02
      1.616240E+02           4.304064E-02
      8.537670E+01           7.114008E-02
      4.579110E+01           9.911240E-03
      2.486770E+01          -3.635768E-02
      1.362020E+01          -4.435727E-01
      7.481060E+00          -5.159647E-01
      4.088170E+00           3.276521E-01
      2.199050E+00           2.900363E+00
      1.148150E+00          -2.838223E+00
      5.772650E-01          -1.043059E+00
      1.976350E-01           4.531665E+00
      1.089860E-01          -3.269962E+00
      5.321600E-02          -1.026061E+00
Fe    S
      1.497690E+08          -1.054576E-08
      2.672250E+07          -7.056298E-08
      5.959000E+06          -4.079780E-07
      1.593610E+06          -1.876538E-06
      4.934640E+05          -7.237094E-06
      1.717900E+05          -2.464974E-05
      6.562090E+04          -7.478965E-05
      2.696560E+04          -2.128281E-04
      1.173530E+04          -5.585257E-04
      5.343430E+03          -1.423420E-03
      2.522500E+03          -3.375476E-03
      1.226430E+03          -7.838124E-03
      6.112690E+02          -1.654157E-02
      3.113080E+02          -3.319364E-02
      1.616240E+02          -5.533150E-02
      8.537670E+01          -7.431718E-02
      4.579110E+01          -3.576261E-02
      2.486770E+01           9.555264E-02
      1.362020E+01           4.920463E-01
      7.481060E+00           1.209239E+00
      4.088170E+00          -2.533106E+00
      2.199050E+00          -2.327719E+00
      1.148150E+00           8.195417E+00
      5.772650E-01          -7.244881E+00
      1.976350E-01           3.129246E+00
      1.089860E-01           1.161362E+00
      5.321600E-02          -3.875824E+00
Fe    S
      2.557100E-02           1.000000E+00
Fe    S
      0.0122900              1.0000000
Fe    P
      8.694730E+04           2.000000E-06
      2.125400E+04           2.200000E-05
      6.741140E+03           1.370000E-04
      2.557160E+03           6.330000E-04
      1.093510E+03           2.428000E-03
      5.061610E+02           8.088000E-03
      2.471390E+02           2.380100E-02
      1.254150E+02           6.149000E-02
      6.565120E+01           1.338960E-01
      3.530790E+01           2.315900E-01
      1.942600E+01           3.051640E-01
      1.084380E+01           2.709610E-01
      6.043590E+00           1.290850E-01
      3.302450E+00           2.343200E-02
      1.763890E+00          -9.120000E-04
      9.213860E-01          -1.880000E-03
      4.603730E-01          -7.740000E-04
      1.836130E-01          -5.000000E-05
      7.585700E-02          -2.000000E-06
Fe    P
      8.694730E+04          -1.000000E-06
      2.125400E+04          -8.000000E-06
      6.741140E+03          -4.800000E-05
      2.557160E+03          -2.230000E-04
      1.093510E+03          -8.580000E-04
      5.061610E+02          -2.874000E-03
      2.471390E+02          -8.549000E-03
      1.254150E+02          -2.252800E-02
      6.565120E+01          -5.061200E-02
      3.530790E+01          -9.085300E-02
      1.942600E+01          -1.261670E-01
      1.084380E+01          -1.087830E-01
      6.043590E+00           3.801400E-02
      3.302450E+00           2.686010E-01
      1.763890E+00           4.011180E-01
      9.213860E-01           3.201590E-01
      4.603730E-01           1.178280E-01
      1.836130E-01           1.032100E-02
      7.585700E-02          -2.070000E-04
Fe    P
      8.694730E+04           1.000000E-06
      2.125400E+04           1.000000E-05
      6.741140E+03           5.700000E-05
      2.557160E+03           2.980000E-04
      1.093510E+03           1.024000E-03
      5.061610E+02           3.848000E-03
      2.471390E+02           1.031900E-02
      1.254150E+02           3.071100E-02
      6.565120E+01           6.179900E-02
      3.530790E+01           1.300020E-01
      1.942600E+01           1.521010E-01
      1.084380E+01           3.802740E-01
      6.043590E+00          -8.124970E-01
      3.302450E+00          -1.533676E+00
      1.763890E+00           2.745308E+00
      9.213860E-01          -1.935220E-01
      4.603730E-01          -2.151771E+00
      1.836130E-01           2.200539E+00
      7.585700E-02          -1.019177E+00
Fe    P
      2.125400E+04           3.000000E-06
      6.741140E+03           1.600000E-05
      2.557160E+03           7.200000E-05
      1.093510E+03           2.850000E-04
      5.061610E+02           9.310000E-04
      2.471390E+02           2.837000E-03
      1.254150E+02           7.309000E-03
      6.565120E+01           1.689000E-02
      3.530790E+01           2.948800E-02
      1.942600E+01           4.331500E-02
      1.084380E+01           3.426200E-02
      6.043590E+00          -1.264200E-02
      3.302450E+00          -1.153800E-01
      1.763890E+00          -1.597990E-01
      9.213860E-01          -1.624660E-01
      4.603730E-01           1.157490E-01
      1.836130E-01           6.334080E-01
      7.585700E-02           3.848220E-01
Fe    P
      8.694730E+04           1.000000E-06
      2.125400E+04           5.000000E-06
      6.741140E+03           3.500000E-05
      2.557160E+03           1.480000E-04
      1.093510E+03           6.300000E-04
      5.061610E+02           1.913000E-03
      2.471390E+02           6.282000E-03
      1.254150E+02           1.502500E-02
      6.565120E+01           3.767000E-02
      3.530790E+01           5.952100E-02
      1.942600E+01           1.023020E-01
      1.084380E+01           6.671600E-02
      6.043590E+00          -4.698000E-03
      3.302450E+00          -3.942540E-01
      1.763890E+00          -4.102480E-01
      9.213860E-01          -1.014100E-02
      4.603730E-01           1.189173E+00
      1.836130E-01          -4.768800E-02
      7.585700E-02          -7.406230E-01
Fe    P
      8.694730E+04           1.000000E-06
      2.125400E+04           8.000000E-06
      6.741140E+03           3.900000E-05
      2.557160E+03           2.240000E-04
      1.093510E+03           6.930000E-04
      5.061610E+02           2.880000E-03
      2.471390E+02           6.944000E-03
      1.254150E+02           2.274700E-02
      6.565120E+01           4.062500E-02
      3.530790E+01           9.665800E-02
      1.942600E+01           9.220400E-02
      1.084380E+01           2.132970E-01
      6.043590E+00          -2.060540E-01
      3.302450E+00          -6.970400E-01
      1.763890E+00          -5.861790E-01
      9.213860E-01           2.095397E+00
      4.603730E-01          -6.206040E-01
      1.836130E-01          -1.276103E+00
      7.585700E-02           1.094944E+00
Fe    P
      2.125400E+04           2.000000E-06
      6.741140E+03           1.100000E-05
      2.557160E+03           4.900000E-05
      1.093510E+03           1.900000E-04
      5.061610E+02           6.290000E-04
      2.471390E+02           1.896000E-03
      1.254150E+02           4.940000E-03
      6.565120E+01           1.128400E-02
      3.530790E+01           1.997500E-02
      1.942600E+01           2.865200E-02
      1.084380E+01           2.344700E-02
      6.043590E+00          -1.015700E-02
      3.302450E+00          -7.378100E-02
      1.763890E+00          -1.060330E-01
      9.213860E-01          -1.072140E-01
      4.603730E-01           3.888700E-02
      1.836130E-01           3.560020E-01
      7.585700E-02           5.256190E-01
Fe    P
      3.114700E-02           1.000000E+00
Fe    P
      0.0127900              1.0000000
Fe    D
      4.891150E+02           1.610000E-04
      1.472080E+02           1.504000E-03
      5.712780E+01           8.264000E-03
      2.504290E+01           3.030800E-02
      1.166720E+01           8.331000E-02
      5.682500E+00           1.734770E-01
      2.813250E+00           2.614830E-01
      1.377330E+00           2.996800E-01
      6.565340E-01           2.695640E-01
      3.007000E-01           1.786260E-01
      1.301870E-01           6.919500E-02
Fe    D
      4.891150E+02          -4.800000E-04
      1.472080E+02          -4.114000E-03
      5.712780E+01          -2.512800E-02
      2.504290E+01          -9.087600E-02
      1.166720E+01          -3.569300E-01
      5.682500E+00          -4.983040E-01
      2.813250E+00           1.287022E+00
      1.377330E+00          -1.020050E-01
      6.565340E-01          -1.453025E+00
      3.007000E-01           1.420376E+00
      1.301870E-01          -2.129640E-01
Fe    D
      4.891150E+02          -3.430000E-04
      1.472080E+02          -3.370000E-03
      5.712780E+01          -1.824500E-02
      2.504290E+01          -7.077200E-02
      1.166720E+01          -2.178620E-01
      5.682500E+00          -4.774330E-01
      2.813250E+00           1.101250E-01
      1.377330E+00           1.016616E+00
      6.565340E-01          -3.807830E-01
      3.007000E-01          -8.475000E-01
      1.301870E-01           5.934410E-01
Fe    D
      4.891150E+02          -1.770000E-04
      1.472080E+02          -1.662000E-03
      5.712780E+01          -9.167000E-03
      2.504290E+01          -3.381300E-02
      1.166720E+01          -9.525300E-02
      5.682500E+00          -2.009730E-01
      2.813250E+00          -2.716650E-01
      1.377330E+00          -1.618990E-01
      6.565340E-01           1.633340E-01
      3.007000E-01           4.360160E-01
      1.301870E-01           3.688740E-01
Fe    D
      4.891150E+02           2.550000E-04
      1.472080E+02           2.417000E-03
      5.712780E+01           1.336000E-02
      2.504290E+01           5.011300E-02
      1.166720E+01           1.462150E-01
      5.682500E+00           3.074050E-01
      2.813250E+00           2.670510E-01
      1.377330E+00          -2.621310E-01
      6.565340E-01          -6.319990E-01
      3.007000E-01          -2.516000E-03
      1.301870E-01           6.017010E-01
Fe    D
      5.158200E-02           1.000000E+00
Fe    D
      0.0204400              1.0000000
Fe    F
      7.538400E+00           1.000000E+00
Fe    F
      2.622900E+00           1.000000E+00
Fe    F
      9.126000E-01           1.000000E+00
Fe    F
      3.175000E-01           1.000000E+00
Fe    F
      0.1066600              1.0000000
Fe    G
      5.832400E+00           1.000000E+00
Fe    G
      1.970400E+00           1.000000E+00
Fe    G
      6.657000E-01           1.000000E+00
Fe    G
      0.2453900              1.0000000
Fe    H
      4.260000E+00           1.000000E+00
Fe    H
      1.315600E+00           1.000000E+00
Fe    H
      0.5286200              1.0000000
Fe    I
      3.150200E+00           1.0000000
Fe    I
      1.4049900              1.0000000
end
basis "Co_aug-cc-pV5Z" SPHERICAL 
#basis SET: (218s,133p,57d,5f,4g,3h,2i) -> [10s,9p,7d,5f,4g,3h,2i]
Co    S
      1.610300E+08           8.662183E-08
      2.875580E+07           5.771763E-07
      6.423240E+06           3.338777E-06
      1.721200E+06           1.525639E-05
      5.339940E+05           5.896429E-05
      1.861940E+05           1.992702E-04
      7.120170E+04           6.077789E-04
      2.927620E+04           1.710961E-03
      1.274230E+04           4.517474E-03
      5.800510E+03           1.127782E-02
      2.736960E+03           2.661227E-02
      1.329990E+03           5.860637E-02
      6.626110E+02           1.169482E-01
      3.374150E+02           1.999746E-01
      1.752340E+02           2.643784E-01
      9.264340E+01           2.249341E-01
      4.975760E+01           9.906240E-02
      2.707280E+01           5.071482E-02
      1.486100E+01           8.902685E-02
      8.181210E+00           7.586152E-02
      4.479410E+00           2.214222E-02
      2.411910E+00           1.717531E-03
      1.258440E+00          -5.409407E-06
      6.312340E-01          -6.718433E-05
      2.152970E-01          -7.178600E-07
      1.185100E-01           6.032560E-06
      5.720900E-02           6.126313E-06
Co    S
      1.610300E+08          -4.556183E-08
      2.875580E+07          -3.035847E-07
      6.423240E+06          -1.756166E-06
      1.721200E+06          -8.024821E-06
      5.339940E+05          -3.101768E-05
      1.861940E+05          -1.048428E-04
      7.120170E+04          -3.199314E-04
      2.927620E+04          -9.016105E-04
      1.274230E+04          -2.386390E-03
      5.800510E+03          -5.988100E-03
      2.736960E+03          -1.428063E-02
      1.329990E+03          -3.211732E-02
      6.626110E+02          -6.678496E-02
      3.374150E+02          -1.236623E-01
      1.752340E+02          -1.908018E-01
      9.264340E+01          -2.115468E-01
      4.975760E+01          -9.922228E-02
      2.707280E+01           1.722946E-01
      1.486100E+01           4.619215E-01
      8.181210E+00           3.996247E-01
      4.479410E+00           1.162798E-01
      2.411910E+00           8.604498E-03
      1.258440E+00          -1.265293E-03
      6.312340E-01          -7.648586E-04
      2.152970E-01          -6.404352E-05
      1.185100E-01           6.372632E-05
      5.720900E-02           1.662965E-05
Co    S
      1.610300E+08           1.041562E-08
      2.875580E+07           6.941461E-08
      6.423240E+06           4.014470E-07
      1.721200E+06           1.835009E-06
      5.339940E+05           7.090429E-06
      1.861940E+05           2.398084E-05
      7.120170E+04           7.316286E-05
      2.927620E+04           2.064944E-04
      1.274230E+04           5.470930E-04
      5.800510E+03           1.379359E-03
      2.736960E+03           3.311503E-03
      1.329990E+03           7.570774E-03
      6.626110E+02           1.617381E-02
      3.374150E+02           3.158299E-02
      1.752340E+02           5.307111E-02
      9.264340E+01           6.689319E-02
      4.975760E+01           3.338852E-02
      2.707280E+01          -8.553213E-02
      1.486100E+01          -2.983211E-01
      8.181210E+00          -3.720681E-01
      4.479410E+00          -3.313281E-02
      2.411910E+00           4.476713E-01
      1.258440E+00           5.711223E-01
      6.312340E-01           2.346370E-01
      2.152970E-01           1.505834E-02
      1.185100E-01          -3.444353E-03
      5.720900E-02           3.212369E-03
Co    S
      1.610300E+08          -4.305752E-09
      2.875580E+07          -2.848385E-08
      6.423240E+06          -1.662977E-07
      1.721200E+06          -7.515459E-07
      5.339940E+05          -2.944684E-06
      1.861940E+05          -9.789564E-06
      7.120170E+04          -3.050378E-05
      2.927620E+04          -8.391909E-05
      1.274230E+04          -2.292077E-04
      5.800510E+03          -5.578224E-04
      2.736960E+03          -1.395052E-03
      1.329990E+03          -3.045922E-03
      6.626110E+02          -6.873444E-03
      3.374150E+02          -1.259770E-02
      1.752340E+02          -2.314866E-02
      9.264340E+01          -2.548397E-02
      4.975760E+01          -1.958046E-02
      2.707280E+01           4.772897E-02
      1.486100E+01           1.149297E-01
      8.181210E+00           2.257042E-01
      4.479410E+00          -6.554148E-02
      2.411910E+00          -2.493425E-01
      1.258440E+00          -6.686389E-01
      6.312340E-01           2.041108E-01
      2.152970E-01           1.227907E+00
      1.185100E-01           1.857518E-01
      5.720900E-02          -4.763281E-01
Co    S
      1.610300E+08          -7.600240E-09
      2.875580E+07          -5.006064E-08
      6.423240E+06          -2.938904E-07
      1.721200E+06          -1.319357E-06
      5.339940E+05          -5.211710E-06
      1.861940E+05          -1.715261E-05
      7.120170E+04          -5.410968E-05
      2.927620E+04          -1.466455E-04
      1.274230E+04          -4.077240E-04
      5.800510E+03          -9.719138E-04
      2.736960E+03          -2.489639E-03
      1.329990E+03          -5.291021E-03
      6.626110E+02          -1.233031E-02
      3.374150E+02          -2.177919E-02
      1.752340E+02          -4.215306E-02
      9.264340E+01          -4.281763E-02
      4.975760E+01          -4.064818E-02
      2.707280E+01           9.666274E-02
      1.486100E+01           1.952451E-01
      8.181210E+00           5.139452E-01
      4.479410E+00          -2.545005E-01
      2.411910E+00          -9.219539E-01
      1.258440E+00          -1.008643E+00
      6.312340E-01           2.264662E+00
      2.152970E-01           5.803464E-01
      1.185100E-01          -2.105359E+00
      5.720900E-02           8.909444E-02
Co    S
      1.610300E+08          -2.200797E-09
      2.875580E+07          -1.466850E-08
      6.423240E+06          -8.482259E-08
      1.721200E+06          -3.877784E-07
      5.339940E+05          -1.498105E-06
      1.861940E+05          -5.067913E-06
      7.120170E+04          -1.545763E-05
      2.927620E+04          -4.364220E-05
      1.274230E+04          -1.155867E-04
      5.800510E+03          -2.915733E-04
      2.736960E+03          -6.997388E-04
      1.329990E+03          -1.601143E-03
      6.626110E+02          -3.420234E-03
      3.374150E+02          -6.691847E-03
      1.752340E+02          -1.125825E-02
      9.264340E+01          -1.427562E-02
      4.975760E+01          -7.134768E-03
      2.707280E+01           1.848341E-02
      1.486100E+01           6.724484E-02
      8.181210E+00           8.704356E-02
      4.479410E+00           4.998014E-03
      2.411910E+00          -1.238556E-01
      1.258440E+00          -1.989520E-01
      6.312340E-01          -1.759940E-01
      2.152970E-01           7.944520E-02
      1.185100E-01           4.024933E-01
      5.720900E-02           5.034063E-01
Co    S
      1.610300E+08           9.197016E-09
      2.875580E+07           6.187033E-08
      6.423240E+06           3.535327E-07
      1.721200E+06           1.639554E-06
      5.339940E+05           6.223594E-06
      1.861940E+05           2.151491E-05
      7.120170E+04           6.389719E-05
      2.927620E+04           1.863210E-04
      1.274230E+04           4.749694E-04
      5.800510E+03           1.252974E-03
      2.736960E+03           2.859209E-03
      1.329990E+03           6.940624E-03
      6.626110E+02           1.389573E-02
      3.374150E+02           2.959972E-02
      1.752340E+02           4.516314E-02
      9.264340E+01           6.841808E-02
      4.975760E+01           1.839713E-02
      2.707280E+01          -5.186229E-02
      1.486100E+01          -3.974522E-01
      8.181210E+00          -6.606775E-01
      4.479410E+00           5.215581E-01
      2.411910E+00           2.838146E+00
      1.258440E+00          -2.970658E+00
      6.312340E-01          -8.507557E-01
      2.152970E-01           4.245559E+00
      1.185100E-01          -2.937293E+00
      5.720900E-02          -1.140954E+00
Co    S
      1.610300E+08          -1.070534E-08
      2.875580E+07          -7.038714E-08
      6.423240E+06          -4.141923E-07
      1.721200E+06          -1.854049E-06
      5.339940E+05          -7.350041E-06
      1.861940E+05          -2.408411E-05
      7.120170E+04          -7.638731E-05
      2.927620E+04          -2.056945E-04
      1.274230E+04          -5.763721E-04
      5.800510E+03          -1.362515E-03
      2.736960E+03          -3.527424E-03
      1.329990E+03          -7.424293E-03
      6.626110E+02          -1.758255E-02
      3.374150E+02          -3.075095E-02
      1.752340E+02          -6.133217E-02
      9.264340E+01          -6.129559E-02
      4.975760E+01          -6.543693E-02
      2.707280E+01           1.523938E-01
      1.486100E+01           3.484988E-01
      8.181210E+00           1.604400E+00
      4.479410E+00          -3.274465E+00
      2.411910E+00          -1.449252E+00
      1.258440E+00           7.547170E+00
      6.312340E-01          -6.991470E+00
      2.152970E-01           3.155202E+00
      1.185100E-01           9.784141E-01
      5.720900E-02          -3.643364E+00
Co    S
      2.716600E-02           1.000000E+00
Co    S
      0.0129000              1.0000000
Co    P
      9.751260E+04           2.000000E-06
      2.381510E+04           2.100000E-05
      7.540430E+03           1.300000E-04
      2.854080E+03           6.050000E-04
      1.217690E+03           2.331000E-03
      5.625150E+02           7.807000E-03
      2.742740E+02           2.308900E-02
      1.391140E+02           5.990800E-02
      7.285980E+01           1.311200E-01
      3.924480E+01           2.283230E-01
      2.164300E+01           3.033890E-01
      1.211490E+01           2.735320E-01
      6.769120E+00           1.339910E-01
      3.705280E+00           2.551600E-02
      1.979010E+00          -6.900000E-04
      1.031270E+00          -1.861000E-03
      5.136090E-01          -7.880000E-04
      2.042640E-01          -4.800000E-05
      8.387800E-02          -2.000000E-06
Co    P
      9.751260E+04          -1.000000E-06
      2.381510E+04          -7.000000E-06
      7.540430E+03          -4.600000E-05
      2.854080E+03          -2.150000E-04
      1.217690E+03          -8.320000E-04
      5.625150E+02          -2.801000E-03
      2.742740E+02          -8.373000E-03
      1.391140E+02          -2.216000E-02
      7.285980E+01          -5.004300E-02
      3.924480E+01          -9.050200E-02
      2.164300E+01          -1.266680E-01
      1.211490E+01          -1.113190E-01
      6.769120E+00           3.270500E-02
      3.705280E+00           2.641890E-01
      1.979010E+00           4.016030E-01
      1.031270E+00           3.244220E-01
      5.136090E-01           1.213180E-01
      2.042640E-01           1.081500E-02
      8.387800E-02          -2.510000E-04
Co    P
      9.751260E+04           1.000000E-06
      2.381510E+04           1.100000E-05
      7.540430E+03           5.400000E-05
      2.854080E+03           3.070000E-04
      1.217690E+03           9.720000E-04
      5.625150E+02           4.005000E-03
      2.742740E+02           9.911000E-03
      1.391140E+02           3.230300E-02
      7.285980E+01           5.947300E-02
      3.924480E+01           1.408890E-01
      2.164300E+01           1.393220E-01
      1.211490E+01           4.563840E-01
      6.769120E+00          -9.863130E-01
      3.705280E+00          -1.400931E+00
      1.979010E+00           2.828169E+00
      1.031270E+00          -4.544190E-01
      5.136090E-01          -1.926268E+00
      2.042640E-01           2.085117E+00
      8.387800E-02          -9.653770E-01
Co    P
      2.381510E+04           3.000000E-06
      7.540430E+03           1.600000E-05
      2.854080E+03           7.300000E-05
      1.217690E+03           2.900000E-04
      5.625150E+02           9.510000E-04
      2.742740E+02           2.922000E-03
      1.391140E+02           7.536000E-03
      7.285980E+01           1.756600E-02
      3.924480E+01           3.077000E-02
      2.164300E+01           4.585400E-02
      1.211490E+01           3.678900E-02
      6.769120E+00          -1.078600E-02
      3.705280E+00          -1.231490E-01
      1.979010E+00          -1.705170E-01
      1.031270E+00          -1.595630E-01
      5.136090E-01           1.356510E-01
      2.042640E-01           6.254930E-01
      8.387800E-02           3.770670E-01
Co    P
      9.751260E+04           1.000000E-06
      2.381510E+04           5.000000E-06
      7.540430E+03           3.500000E-05
      2.854080E+03           1.480000E-04
      1.217690E+03           6.340000E-04
      5.625150E+02           1.935000E-03
      2.742740E+02           6.383000E-03
      1.391140E+02           1.534000E-02
      7.285980E+01           3.865400E-02
      3.924480E+01           6.150600E-02
      2.164300E+01           1.063540E-01
      1.211490E+01           7.265900E-02
      6.769120E+00           2.670000E-04
      3.705280E+00          -4.227860E-01
      1.979010E+00          -4.236170E-01
      1.031270E+00           6.119600E-02
      5.136090E-01           1.141035E+00
      2.042640E-01          -7.076800E-02
      8.387800E-02          -7.197110E-01
Co    P
      9.751260E+04           1.000000E-06
      2.381510E+04           8.000000E-06
      7.540430E+03           3.800000E-05
      2.854080E+03           2.170000E-04
      1.217690E+03           6.900000E-04
      5.625150E+02           2.826000E-03
      2.742740E+02           6.983000E-03
      1.391140E+02           2.254100E-02
      7.285980E+01           4.133500E-02
      3.924480E+01           9.648600E-02
      2.164300E+01           9.631100E-02
      1.211490E+01           2.187580E-01
      6.769120E+00          -1.991620E-01
      3.705280E+00          -7.578960E-01
      1.979010E+00          -4.881940E-01
      1.031270E+00           2.065654E+00
      5.136090E-01          -6.901820E-01
      2.042640E-01          -1.206482E+00
      8.387800E-02           1.063578E+00
Co    P
      2.381510E+04           2.000000E-06
      7.540430E+03           1.000000E-05
      2.854080E+03           4.700000E-05
      1.217690E+03           1.850000E-04
      5.625150E+02           6.130000E-04
      2.742740E+02           1.860000E-03
      1.391140E+02           4.864000E-03
      7.285980E+01           1.117500E-02
      3.924480E+01           1.991100E-02
      2.164300E+01           2.880900E-02
      1.211490E+01           2.409000E-02
      6.769120E+00          -8.661000E-03
      3.705280E+00          -7.295300E-02
      1.979010E+00          -1.066760E-01
      1.031270E+00          -1.079120E-01
      5.136090E-01           3.961500E-02
      2.042640E-01           3.560400E-01
      8.387800E-02           5.249090E-01
Co    P
      3.414200E-02           1.000000E+00
Co    P
      0.0139000              1.0000000
Co    D
      4.952480E+02           1.950000E-04
      1.490380E+02           1.820000E-03
      5.787280E+01           9.860000E-03
      2.537960E+01           3.541700E-02
      1.185940E+01           9.488200E-02
      5.796300E+00           1.886510E-01
      2.872750E+00           2.703950E-01
      1.407836E+00           2.963470E-01
      6.724070E-01           2.565590E-01
      3.088350E-01           1.640550E-01
      1.342970E-01           6.056700E-02
Co    D
      4.952480E+02          -6.500000E-04
      1.490380E+02          -4.633000E-03
      5.787280E+01          -3.251900E-02
      2.537960E+01          -1.010780E-01
      1.185940E+01          -4.650190E-01
      5.796300E+00          -3.186010E-01
      2.872750E+00           1.514991E+00
      1.407836E+00          -7.612670E-01
      6.724070E-01          -9.671680E-01
      3.088350E-01           1.443330E+00
      1.342970E-01          -4.742000E-01
Co    D
      4.952480E+02          -4.190000E-04
      1.490380E+02          -4.079000E-03
      5.787280E+01          -2.189500E-02
      2.537960E+01          -8.303100E-02
      1.185940E+01          -2.568910E-01
      5.796300E+00          -5.037510E-01
      2.872750E+00           3.497610E-01
      1.407836E+00           9.348700E-01
      6.724070E-01          -6.383940E-01
      3.088350E-01          -6.372560E-01
      1.342970E-01           6.254560E-01
Co    D
      4.952480E+02          -2.260000E-04
      1.490380E+02          -2.117000E-03
      5.787280E+01          -1.150600E-02
      2.537960E+01          -4.167300E-02
      1.185940E+01          -1.148500E-01
      5.796300E+00          -2.300360E-01
      2.872750E+00          -2.787220E-01
      1.407836E+00          -1.090440E-01
      6.724070E-01           2.309180E-01
      3.088350E-01           4.341780E-01
      1.342970E-01           3.146810E-01
Co    D
      4.952480E+02           2.980000E-04
      1.490380E+02           2.841000E-03
      5.787280E+01           1.538000E-02
      2.537960E+01           5.693200E-02
      1.185940E+01           1.620180E-01
      5.796300E+00           3.251240E-01
      2.872750E+00           2.071440E-01
      1.407836E+00          -3.687400E-01
      6.724070E-01          -5.808490E-01
      3.088350E-01           1.267060E-01
      1.342970E-01           5.876060E-01
Co    D
      5.361900E-02           1.000000E+00
Co    D
      0.0214100              1.0000000
Co    F
      8.592000E+00           1.000000E+00
Co    F
      3.018700E+00           1.000000E+00
Co    F
      1.060600E+00           1.000000E+00
Co    F
      3.726000E-01           1.000000E+00
Co    F
      0.1265500              1.0000000
Co    G
      6.772300E+00           1.000000E+00
Co    G
      2.319000E+00           1.000000E+00
Co    G
      7.941000E-01           1.000000E+00
Co    G
      0.2974800              1.0000000
Co    H
      4.951100E+00           1.000000E+00
Co    H
      1.551300E+00           1.000000E+00
Co    H
      0.6387800              1.0000000
Co    I
      3.695000E+00           1.0000000
Co    I
      1.7051400              1.0000000
end
basis "Ni_aug-cc-pV5Z" SPHERICAL 
#basis SET: (218s,133p,57d,5f,4g,3h,2i) -> [10s,9p,7d,5f,4g,3h,2i]
Ni    S
      1.687930E+08           9.544814E-08
      3.013690E+07           6.361561E-07
      6.730750E+06           3.680573E-06
      1.803370E+06           1.682095E-05
      5.594380E+05           6.501477E-05
      1.950640E+05           2.197031E-04
      7.460070E+04           6.699143E-04
      3.068170E+04           1.884806E-03
      1.336030E+04           4.971862E-03
      6.086160E+03           1.239603E-02
      2.874620E+03           2.919925E-02
      1.398720E+03           6.417304E-02
      6.979810E+02           1.278067E-01
      3.561100E+02           2.183849E-01
      1.853460E+02           2.897629E-01
      9.822210E+01           2.502011E-01
      5.288340E+01           1.091251E-01
      2.884240E+01           2.418062E-02
      1.586640E+01           2.017083E-02
      8.749330E+00           1.584540E-02
      4.794820E+00           4.573713E-03
      2.581240E+00           5.366850E-04
      1.344500E+00           3.285652E-04
      6.723740E-01           1.056374E-04
      2.246400E-01           1.152728E-05
      1.201920E-01          -4.982873E-06
      5.815400E-02           2.888491E-06
Ni    S
      1.687930E+08          -3.340483E-08
      3.013690E+07          -2.226369E-07
      6.730750E+06          -1.288145E-06
      1.803370E+06          -5.887072E-06
      5.594380E+05          -2.275726E-05
      1.950640E+05          -7.691942E-05
      7.460070E+04          -2.347070E-04
      3.068170E+04          -6.612896E-04
      1.336030E+04          -1.750303E-03
      6.086160E+03          -4.393952E-03
      2.874620E+03          -1.049957E-02
      1.398720E+03          -2.373066E-02
      6.979810E+02          -4.989615E-02
      3.561100E+02          -9.438365E-02
      1.853460E+02          -1.511186E-01
      9.822210E+01          -1.753137E-01
      5.288340E+01          -7.893694E-02
      2.884240E+01           1.862733E-01
      1.586640E+01           4.711517E-01
      8.749330E+00           3.940073E-01
      4.794820E+00           1.124290E-01
      2.581240E+00           1.373033E-02
      1.344500E+00           5.757963E-03
      6.723740E-01           2.067697E-03
      2.246400E-01           1.166264E-04
      1.201920E-01          -2.380527E-05
      5.815400E-02           6.345831E-06
Ni    S
      1.687930E+08           1.123242E-08
      3.013690E+07           7.487631E-08
      6.730750E+06           4.331184E-07
      1.803370E+06           1.980033E-06
      5.594380E+05           7.651521E-06
      1.950640E+05           2.587536E-05
      7.460070E+04           7.892470E-05
      3.068170E+04           2.226061E-04
      1.336030E+04           5.892384E-04
      6.086160E+03           1.483283E-03
      2.874620E+03           3.553731E-03
      1.398720E+03           8.100150E-03
      6.979810E+02           1.724042E-02
      3.561100E+02           3.348912E-02
      1.853460E+02           5.585983E-02
      9.822210E+01           6.942521E-02
      5.288340E+01           3.279768E-02
      2.884240E+01          -9.364737E-02
      1.586640E+01          -3.127333E-01
      8.749330E+00          -3.726099E-01
      4.794820E+00          -1.765121E-02
      2.581240E+00           4.580760E-01
      1.344500E+00           5.616617E-01
      6.723740E-01           2.239313E-01
      2.246400E-01           1.414205E-02
      1.201920E-01          -4.402952E-04
      5.815400E-02           7.001775E-03
Ni    S
      1.687930E+08          -4.519782E-09
      3.013690E+07          -2.990036E-08
      6.730750E+06          -1.746510E-07
      1.803370E+06          -7.891321E-07
      5.594380E+05          -3.093527E-06
      1.950640E+05          -1.027782E-05
      7.460070E+04          -3.203877E-05
      3.068170E+04          -8.801093E-05
      1.336030E+04          -2.404162E-04
      6.086160E+03          -5.834537E-04
      2.874620E+03          -1.458670E-03
      1.398720E+03          -3.169439E-03
      6.979810E+02          -7.146736E-03
      3.561100E+02          -1.299317E-02
      1.853460E+02          -2.384859E-02
      9.822210E+01          -2.566345E-02
      5.288340E+01          -1.953197E-02
      2.884240E+01           5.137546E-02
      1.586640E+01           1.179712E-01
      8.749330E+00           2.305182E-01
      4.794820E+00          -7.602184E-02
      2.581240E+00          -2.736418E-01
      1.344500E+00          -6.668219E-01
      6.723740E-01           2.779595E-01
      2.246400E-01           1.184811E+00
      1.201920E-01           1.453091E-01
      5.815400E-02          -4.475209E-01
Ni    S
      1.687930E+08          -7.967881E-09
      3.013690E+07          -5.251486E-08
      6.730750E+06          -3.082074E-07
      1.803370E+06          -1.384629E-06
      5.594380E+05          -5.466127E-06
      1.950640E+05          -1.800365E-05
      7.460070E+04          -5.672168E-05
      3.068170E+04          -1.538124E-04
      1.336030E+04          -4.266789E-04
      6.086160E+03          -1.017047E-03
      2.874620E+03          -2.596287E-03
      1.398720E+03          -5.509995E-03
      6.979810E+02          -1.278063E-02
      3.561100E+02          -2.249312E-02
      1.853460E+02          -4.323339E-02
      9.822210E+01          -4.327035E-02
      5.288340E+01          -4.001807E-02
      2.884240E+01           1.014123E-01
      1.586640E+01           1.995643E-01
      8.749330E+00           5.337974E-01
      4.794820E+00          -2.848026E-01
      2.581240E+00          -1.008626E+00
      1.344500E+00          -8.589707E-01
      6.723740E-01           2.257135E+00
      2.246400E-01           3.158366E-01
      1.201920E-01          -1.893134E+00
      5.815400E-02           1.382195E-01
Ni    S
      1.687930E+08          -2.340836E-09
      3.013690E+07          -1.560568E-08
      6.730750E+06          -9.025955E-08
      1.803370E+06          -4.126875E-07
      5.594380E+05          -1.594488E-06
      1.950640E+05          -5.393313E-06
      7.460070E+04          -1.644642E-05
      3.068170E+04          -4.640303E-05
      1.336030E+04          -1.227884E-04
      6.086160E+03          -3.092679E-04
      2.874620E+03          -7.407537E-04
      1.398720E+03          -1.690220E-03
      6.979810E+02          -3.598265E-03
      3.561100E+02          -7.007654E-03
      1.853460E+02          -1.171488E-02
      9.822210E+01          -1.467085E-02
      5.288340E+01          -6.949957E-03
      2.884240E+01           2.016183E-02
      1.586640E+01           7.054184E-02
      8.749330E+00           8.743265E-02
      4.794820E+00           8.925969E-04
      2.581240E+00          -1.284879E-01
      1.344500E+00          -1.992698E-01
      6.723740E-01          -1.687038E-01
      2.246400E-01           9.663179E-02
      1.201920E-01           4.091717E-01
      5.815400E-02           4.865605E-01
Ni    S
      1.687930E+08           9.963678E-09
      3.013690E+07           6.665402E-08
      6.730750E+06           3.837692E-07
      1.803370E+06           1.764347E-06
      5.594380E+05           6.771079E-06
      1.950640E+05           2.309426E-05
      7.460070E+04           6.971023E-05
      3.068170E+04           1.991457E-04
      1.336030E+04           5.193445E-04
      6.086160E+03           1.331023E-03
      2.874620E+03           3.128397E-03
      1.398720E+03           7.307415E-03
      6.979810E+02           1.519845E-02
      3.561100E+02           3.067699E-02
      1.853460E+02           4.966778E-02
      9.822210E+01           6.716041E-02
      5.288340E+01           2.675145E-02
      2.884240E+01          -7.690265E-02
      1.586640E+01          -3.660499E-01
      8.749330E+00          -8.930662E-01
      4.794820E+00           9.868359E-01
      2.581240E+00           2.714004E+00
      1.344500E+00          -3.549184E+00
      6.723740E-01          -1.082087E-01
      2.246400E-01           3.740358E+00
      1.201920E-01          -2.946991E+00
      5.815400E-02          -7.564774E-01
Ni    S
      1.687930E+08           1.108501E-08
      3.013690E+07           7.142717E-08
      6.730750E+06           4.312448E-07
      1.803370E+06           1.872599E-06
      5.594380E+05           7.704611E-06
      1.950640E+05           2.410281E-05
      7.460070E+04           8.084296E-05
      3.068170E+04           2.030273E-04
      1.336030E+04           6.163052E-04
      6.086160E+03           1.321530E-03
      2.874620E+03           3.807283E-03
      1.398720E+03           7.035083E-03
      6.979810E+02           1.919484E-02
      3.561100E+02           2.784042E-02
      1.853460E+02           6.926812E-02
      9.822210E+01           4.334989E-02
      5.288340E+01           1.003238E-01
      2.884240E+01          -2.282821E-01
      1.586640E+01          -1.788302E-01
      8.749330E+00          -2.163284E+00
      4.794820E+00           4.676830E+00
      2.581240E+00          -5.082154E-01
      1.344500E+00          -6.163050E+00
      6.723740E-01           6.755235E+00
      2.246400E-01          -4.177687E+00
      1.201920E-01           6.315692E-01
      5.815400E-02           2.658006E+00
Ni    S
      2.772300E-02           1.000000E+00
Ni    S
      0.0132200              1.0000000
Ni    P
      1.041580E+05           2.000000E-06
      2.528910E+04           2.200000E-05
      7.974060E+03           1.360000E-04
      3.013010E+03           6.310000E-04
      1.286410E+03           2.421000E-03
      5.958550E+02           8.049000E-03
      2.916560E+02           2.361600E-02
      1.485440E+02           6.086100E-02
      7.807370E+01           1.326030E-01
      4.214780E+01           2.304730E-01
      2.325990E+01           3.051620E-01
      1.301210E+01           2.713690E-01
      7.263990E+00           1.296230E-01
      3.973570E+00           2.401400E-02
      2.121560E+00          -3.590000E-04
      1.105150E+00          -1.462000E-03
      5.499500E-01          -6.140000E-04
      2.107400E-01          -3.000000E-05
      8.473100E-02          -1.000000E-06
Ni    P
      1.041580E+05          -1.000000E-06
      2.528910E+04          -8.000000E-06
      7.974060E+03          -4.900000E-05
      3.013010E+03          -2.270000E-04
      1.286410E+03          -8.730000E-04
      5.958550E+02          -2.919000E-03
      2.916560E+02          -8.659000E-03
      1.485440E+02          -2.277400E-02
      7.807370E+01          -5.121300E-02
      4.214780E+01          -9.253300E-02
      2.325990E+01          -1.290760E-01
      1.301210E+01          -1.101780E-01
      7.263990E+00           4.097600E-02
      3.973570E+00           2.728100E-01
      2.121560E+00           4.016420E-01
      1.105150E+00           3.161390E-01
      5.499500E-01           1.168000E-01
      2.107400E-01           1.001100E-02
      8.473100E-02          -4.900000E-04
Ni    P
      2.528910E+04           3.000000E-06
      7.974060E+03           2.000000E-05
      3.013010E+03           9.000000E-05
      1.286410E+03           3.670000E-04
      5.958550E+02           1.162000E-03
      2.916560E+02           3.642000E-03
      1.485440E+02           9.081000E-03
      7.807370E+01           2.173400E-02
      4.214780E+01           3.666900E-02
      2.325990E+01           5.745900E-02
      1.301210E+01           4.044400E-02
      7.263990E+00          -1.228700E-02
      3.973570E+00          -1.720000E-01
      2.121560E+00          -1.964310E-01
      1.105150E+00          -1.609770E-01
      5.499500E-01           2.715720E-01
      2.107400E-01           6.358310E-01
      8.473100E-02           2.721880E-01
Ni    P
      1.041580E+05           1.000000E-06
      2.528910E+04           1.200000E-05
      7.974060E+03           5.700000E-05
      3.013010E+03           3.470000E-04
      1.286410E+03           1.025000E-03
      5.958550E+02           4.482000E-03
      2.916560E+02           1.029300E-02
      1.485440E+02           3.574300E-02
      7.807370E+01           6.091100E-02
      4.214780E+01           1.565060E-01
      2.325990E+01           1.436090E-01
      1.301210E+01           5.343820E-01
      7.263990E+00          -1.408318E+00
      3.973570E+00          -9.573860E-01
      2.121560E+00           3.103892E+00
      1.105150E+00          -1.369389E+00
      5.499500E-01          -1.143764E+00
      2.107400E-01           1.791053E+00
      8.473100E-02          -1.002761E+00
Ni    P
      1.041580E+05           1.000000E-06
      2.528910E+04           5.000000E-06
      7.974060E+03           3.800000E-05
      3.013010E+03           1.590000E-04
      1.286410E+03           6.800000E-04
      5.958550E+02           2.054000E-03
      2.916560E+02           6.757000E-03
      1.485440E+02           1.606500E-02
      7.807370E+01           4.054000E-02
      4.214780E+01           6.406600E-02
      2.325990E+01           1.113860E-01
      1.301210E+01           7.391900E-02
      7.263990E+00          -1.056200E-02
      3.973570E+00          -4.813110E-01
      2.121560E+00          -3.964750E-01
      1.105150E+00           2.149210E-01
      5.499500E-01           1.064658E+00
      2.107400E-01          -2.559500E-01
      8.473100E-02          -6.598570E-01
Ni    P
      1.041580E+05           1.000000E-06
      2.528910E+04           8.000000E-06
      7.974060E+03           4.200000E-05
      3.013010E+03           2.340000E-04
      1.286410E+03           7.520000E-04
      5.958550E+02           3.010000E-03
      2.916560E+02           7.494000E-03
      1.485440E+02           2.371300E-02
      7.807370E+01           4.400500E-02
      4.214780E+01           1.004120E-01
      2.325990E+01           1.054620E-01
      1.301210E+01           2.291670E-01
      7.263990E+00          -2.527370E-01
      3.973570E+00          -8.566420E-01
      2.121560E+00          -2.477960E-01
      1.105150E+00           2.120705E+00
      5.499500E-01          -1.086112E+00
      2.107400E-01          -8.818430E-01
      8.473100E-02           1.012800E+00
Ni    P
      2.528910E+04           2.000000E-06
      7.974060E+03           1.000000E-05
      3.013010E+03           4.500000E-05
      1.286410E+03           1.770000E-04
      5.958550E+02           5.840000E-04
      2.916560E+02           1.762000E-03
      1.485440E+02           4.563000E-03
      7.807370E+01           1.048400E-02
      4.214780E+01           1.857900E-02
      2.325990E+01           2.697100E-02
      1.301210E+01           2.147400E-02
      7.263990E+00          -9.598000E-03
      3.973570E+00          -6.914800E-02
      2.121560E+00          -9.557100E-02
      1.105150E+00          -9.892500E-02
      5.499500E-01           3.645000E-02
      2.107400E-01           3.447120E-01
      8.473100E-02           5.277500E-01
Ni    P
      3.390200E-02           1.000000E+00
Ni    P
      0.0135600              1.0000000
Ni    D
      5.688665E+02           1.770000E-04
      1.712501E+02           1.665000E-03
      6.649195E+01           9.153000E-03
      2.920541E+01           3.348100E-02
      1.367848E+01           9.090200E-02
      6.697880E+00           1.833980E-01
      3.325850E+00           2.663610E-01
      1.631480E+00           2.945410E-01
      7.790140E-01           2.588860E-01
      3.575460E-01           1.730030E-01
      1.551630E-01           7.024100E-02
Ni    D
      5.688665E+02          -3.750000E-04
      1.712501E+02          -3.803000E-03
      6.649195E+01          -2.014800E-02
      2.920541E+01          -7.931500E-02
      1.367848E+01          -2.408380E-01
      6.697880E+00          -5.200670E-01
      3.325850E+00           2.694850E-01
      1.631480E+00           9.484220E-01
      7.790140E-01          -4.613840E-01
      3.575460E-01          -7.282930E-01
      1.551630E-01           4.956350E-01
Ni    D
      5.688665E+02          -5.660000E-04
      1.712501E+02          -4.215000E-03
      6.649195E+01          -2.900400E-02
      2.920541E+01          -9.314500E-02
      1.367848E+01          -4.227470E-01
      6.697880E+00          -4.171620E-01
      3.325850E+00           1.469109E+00
      1.631480E+00          -5.187500E-01
      7.790140E-01          -1.137344E+00
      3.575460E-01           1.335325E+00
      1.551630E-01          -2.368740E-01
Ni    D
      5.688665E+02          -2.700000E-04
      1.712501E+02          -2.584000E-03
      6.649195E+01          -1.420000E-02
      2.920541E+01          -5.319600E-02
      1.367848E+01          -1.524600E-01
      6.697880E+00          -3.182580E-01
      3.325850E+00          -2.569500E-01
      1.631480E+00           2.828580E-01
      7.790140E-01           6.045360E-01
      3.575460E-01           3.847700E-02
      1.551630E-01          -5.667860E-01
Ni    D
      5.688665E+02          -1.870000E-04
      1.712501E+02          -1.763000E-03
      6.649195E+01          -9.718000E-03
      2.920541E+01          -3.577700E-02
      1.367848E+01          -9.945800E-02
      6.697880E+00          -2.028120E-01
      3.325850E+00          -2.604240E-01
      1.631480E+00          -1.462650E-01
      7.790140E-01           1.412140E-01
      3.575460E-01           4.004590E-01
      1.551630E-01           4.007580E-01
Ni    D
      6.140200E-02           1.000000E+00
Ni    D
      0.0243000              1.0000000
Ni    F
      9.802900E+00           1.000000E+00
Ni    F
      3.493600E+00           1.000000E+00
Ni    F
      1.245100E+00           1.000000E+00
Ni    F
      4.437000E-01           1.000000E+00
Ni    F
      0.1538800              1.0000000
Ni    G
      7.935600E+00           1.000000E+00
Ni    G
      2.764800E+00           1.000000E+00
Ni    G
      9.633000E-01           1.000000E+00
Ni    G
      0.3682800              1.0000000
Ni    H
      5.807600E+00           1.000000E+00
Ni    H
      1.852600E+00           1.000000E+00
Ni    H
      0.7879800              1.0000000
Ni    I
      4.354900E+00           1.0000000
Ni    I
      2.1037100              1.0000000
end
basis "Cu_aug-cc-pV5Z" SPHERICAL 
#basis SET: (218s,133p,57d,5f,4g,3h,2i) -> [10s,9p,7d,5f,4g,3h,2i]
Cu    S
      1.931880E+08           8.189248E-08
      3.394520E+07           5.579701E-07
      7.510460E+06           3.254124E-06
      2.001990E+06           1.494164E-05
      6.193780E+05           5.787620E-05
      2.156060E+05           1.959305E-04
      8.232710E+04           5.988528E-04
      3.378840E+04           1.691000E-03
      1.467000E+04           4.482558E-03
      6.657440E+03           1.124215E-02
      3.130260E+03           2.664563E-02
      1.515610E+03           5.887107E-02
      7.525880E+02           1.175196E-01
      3.822490E+02           1.999504E-01
      1.982370E+02           2.605024E-01
      1.048100E+02           2.154194E-01
      5.638850E+01           9.248247E-02
      3.078300E+01           5.710446E-02
      1.697700E+01           1.024003E-01
      9.397250E+00           8.323474E-02
      5.172380E+00           2.348642E-02
      2.795350E+00           1.775061E-03
      1.458900E+00          -4.661882E-05
      7.287110E-01          -8.666474E-05
      2.376420E-01          -1.068949E-06
      1.278210E-01           1.298399E-07
      6.181500E-02          -5.102737E-07
Cu    S
      1.931880E+08          -4.611013E-08
      3.394520E+07          -3.141616E-07
      7.510460E+06          -1.832284E-06
      2.001990E+06          -8.412987E-06
      6.193780E+05          -3.259135E-05
      2.156060E+05          -1.103469E-04
      8.232710E+04          -3.374510E-04
      3.378840E+04          -9.538171E-04
      1.467000E+04          -2.534704E-03
      6.657440E+03          -6.388537E-03
      3.130260E+03          -1.530315E-02
      1.515610E+03          -3.452258E-02
      7.525880E+02          -7.182859E-02
      3.822490E+02          -1.324045E-01
      1.982370E+02          -2.017660E-01
      1.048100E+02          -2.178903E-01
      5.638850E+01          -9.441542E-02
      3.078300E+01           1.874571E-01
      1.697700E+01           4.663918E-01
      9.397250E+00           3.836915E-01
      5.172380E+00           1.079329E-01
      2.795350E+00           7.742901E-03
      1.458900E+00          -1.244704E-03
      7.287110E-01          -7.418943E-04
      2.376420E-01          -4.731810E-05
      1.278210E-01           2.312508E-05
      6.181500E-02          -1.379905E-05
Cu    S
      1.931880E+08           1.018420E-08
      3.394520E+07           6.939965E-08
      7.510460E+06           4.046744E-07
      2.001990E+06           1.858592E-06
      6.193780E+05           7.198169E-06
      2.156060E+05           2.438470E-05
      8.232710E+04           7.456294E-05
      3.378840E+04           2.110638E-04
      1.467000E+04           5.615915E-04
      6.657440E+03           1.422427E-03
      3.130260E+03           3.432886E-03
      1.515610E+03           7.881403E-03
      7.525880E+02           1.689595E-02
      3.822490E+02           3.299686E-02
      1.982370E+02           5.521770E-02
      1.048100E+02           6.840131E-02
      5.638850E+01           3.122147E-02
      3.078300E+01          -9.635215E-02
      1.697700E+01          -3.138457E-01
      9.397250E+00          -3.649343E-01
      5.172380E+00          -8.879992E-03
      2.795350E+00           4.608336E-01
      1.458900E+00           5.618870E-01
      7.287110E-01           2.229206E-01
      2.376420E-01           1.340137E-02
      1.278210E-01          -3.370102E-03
      6.181500E-02           3.065080E-03
Cu    S
      1.931880E+08           3.816605E-09
      3.394520E+07           2.582606E-08
      7.510460E+06           1.519524E-07
      2.001990E+06           6.903629E-07
      6.193780E+05           2.709545E-06
      2.156060E+05           9.029170E-06
      8.232710E+04           2.817161E-05
      3.378840E+04           7.782505E-05
      1.467000E+04           2.131374E-04
      6.657440E+03           5.221431E-04
      3.130260E+03           1.309502E-03
      1.515610E+03           2.879448E-03
      7.525880E+02           6.499505E-03
      3.822490E+02           1.195541E-02
      1.982370E+02           2.180180E-02
      1.048100E+02           2.363852E-02
      5.638850E+01           1.706798E-02
      3.078300E+01          -4.783859E-02
      1.697700E+01          -1.097524E-01
      9.397250E+00          -2.027580E-01
      5.172380E+00           7.260363E-02
      2.795350E+00           2.307255E-01
      1.458900E+00           5.765951E-01
      7.287110E-01          -1.570176E-01
      2.376420E-01          -1.091978E+00
      1.278210E-01          -2.691323E-01
      6.181500E-02           3.516467E-01
Cu    S
      1.931880E+08          -7.757240E-09
      3.394520E+07          -5.227556E-08
      7.510460E+06          -3.091952E-07
      2.001990E+06          -1.395860E-06
      6.193780E+05          -5.521331E-06
      2.156060E+05          -1.822235E-05
      8.232710E+04          -5.752983E-05
      3.378840E+04          -1.566716E-04
      1.467000E+04          -4.363848E-04
      6.657440E+03          -1.048344E-03
      3.130260E+03          -2.689174E-03
      1.515610E+03          -5.765512E-03
      7.525880E+02          -1.341487E-02
      3.822490E+02          -2.383053E-02
      1.982370E+02          -4.568414E-02
      1.048100E+02          -4.575431E-02
      5.638850E+01          -4.125506E-02
      3.078300E+01           1.103493E-01
      1.697700E+01           2.148842E-01
      9.397250E+00           5.522145E-01
      5.172380E+00          -3.395265E-01
      2.795350E+00          -9.771007E-01
      1.458900E+00          -8.808593E-01
      7.287110E-01           2.196687E+00
      2.376420E-01           4.386372E-01
      1.278210E-01          -1.817874E+00
      6.181500E-02           3.019659E-03
Cu    S
      1.931880E+08          -2.054681E-09
      3.394520E+07          -1.400309E-08
      7.510460E+06          -8.164118E-08
      2.001990E+06          -3.750280E-07
      6.193780E+05          -1.452141E-06
      2.156060E+05          -4.920629E-06
      8.232710E+04          -1.504137E-05
      3.378840E+04          -4.259474E-05
      1.467000E+04          -1.132857E-04
      6.657440E+03          -2.871116E-04
      3.130260E+03          -6.925917E-04
      1.515610E+03          -1.591691E-03
      7.525880E+02          -3.411485E-03
      3.822490E+02          -6.677064E-03
      1.982370E+02          -1.118545E-02
      1.048100E+02          -1.394792E-02
      5.638850E+01          -6.364561E-03
      3.078300E+01           1.991809E-02
      1.697700E+01           6.774441E-02
      9.397250E+00           8.134341E-02
      5.172380E+00          -8.995035E-04
      2.795350E+00          -1.219713E-01
      1.458900E+00          -1.883443E-01
      7.287110E-01          -1.623329E-01
      2.376420E-01           9.426046E-02
      1.278210E-01           3.962220E-01
      6.181500E-02           4.850819E-01
Cu    S
      1.931880E+08           9.028583E-09
      3.394520E+07           6.205817E-08
      7.510460E+06           3.578757E-07
      2.001990E+06           1.665776E-06
      6.193780E+05           6.346135E-06
      2.156060E+05           2.193900E-05
      8.232710E+04           6.543424E-05
      3.378840E+04           1.908891E-04
      1.467000E+04           4.902082E-04
      6.657440E+03           1.294337E-03
      3.130260E+03           2.982099E-03
      1.515610E+03           7.234214E-03
      7.525880E+02           1.461464E-02
      3.822490E+02           3.095278E-02
      1.982370E+02           4.734078E-02
      1.048100E+02           7.000877E-02
      5.638850E+01           1.629399E-02
      3.078300E+01          -5.839350E-02
      1.697700E+01          -4.104935E-01
      9.397250E+00          -7.896262E-01
      5.172380E+00           9.308371E-01
      2.795350E+00           2.533043E+00
      1.458900E+00          -3.158661E+00
      7.287110E-01          -4.007620E-01
      2.376420E-01           3.854099E+00
      1.278210E-01          -2.887457E+00
      6.181500E-02          -9.069599E-01
Cu    S
      1.931880E+08           1.075970E-08
      3.394520E+07           7.162208E-08
      7.510460E+06           4.303890E-07
      2.001990E+06           1.905813E-06
      6.193780E+05           7.718964E-06
      2.156060E+05           2.473676E-05
      8.232710E+04           8.094360E-05
      3.378840E+04           2.110522E-04
      1.467000E+04           6.186246E-04
      6.657440E+03           1.401250E-03
      3.130260E+03           3.844742E-03
      1.515610E+03           7.649810E-03
      7.525880E+02           1.947297E-02
      3.822490E+02           3.126618E-02
      1.982370E+02           6.932423E-02
      1.048100E+02           5.504615E-02
      5.638850E+01           8.460341E-02
      3.078300E+01          -1.993583E-01
      1.697700E+01          -3.185230E-01
      9.397250E+00          -2.018103E+00
      5.172380E+00           4.689368E+00
      2.795350E+00          -5.933257E-01
      1.458900E+00          -5.975764E+00
      7.287110E-01           6.398829E+00
      2.376420E-01          -3.682216E+00
      1.278210E-01           2.025323E-01
      6.181500E-02           2.782276E+00
Cu    S
      2.930300E-02           1.000000E+00
Cu    S
      0.0138900              1.0000000
Cu    P
      1.102940E+05           2.000000E-06
      2.693910E+04           2.200000E-05
      8.550710E+03           1.360000E-04
      3.246190E+03           6.300000E-04
      1.388460E+03           2.418000E-03
      6.424740E+02           8.087000E-03
      3.135700E+02           2.390500E-02
      1.591610E+02           6.197100E-02
      8.344140E+01           1.350660E-01
      4.501960E+01           2.334730E-01
      2.488940E+01           3.054990E-01
      1.397310E+01           2.676760E-01
      7.825710E+00           1.264990E-01
      4.286320E+00           2.302100E-02
      2.290340E+00          -6.410000E-04
      1.193420E+00          -1.627000E-03
      5.937650E-01          -6.570000E-04
      2.239870E-01          -3.300000E-05
      8.902600E-02          -1.000000E-06
Cu    P
      1.102940E+05          -1.000000E-06
      2.693910E+04          -8.000000E-06
      8.550710E+03          -4.900000E-05
      3.246190E+03          -2.280000E-04
      1.388460E+03          -8.780000E-04
      6.424740E+02          -2.953000E-03
      3.135700E+02          -8.826000E-03
      1.591610E+02          -2.336400E-02
      8.344140E+01          -5.258900E-02
      4.501960E+01          -9.462500E-02
      2.488940E+01          -1.304500E-01
      1.397310E+01          -1.081600E-01
      7.825710E+00           4.668700E-02
      4.286320E+00           2.780770E-01
      2.290340E+00           4.021830E-01
      1.193420E+00           3.112960E-01
      5.937650E-01           1.125510E-01
      2.239870E-01           9.397000E-03
      8.902600E-02          -5.000000E-04
Cu    P
      2.693910E+04           3.000000E-06
      8.550710E+03           1.900000E-05
      3.246190E+03           8.400000E-05
      1.388460E+03           3.430000E-04
      6.424740E+02           1.090000E-03
      3.135700E+02           3.446000E-03
      1.591610E+02           8.638000E-03
      8.344140E+01           2.071800E-02
      4.501960E+01           3.471400E-02
      2.488940E+01           5.412200E-02
      1.397310E+01           3.636800E-02
      7.825710E+00          -1.255600E-02
      4.286320E+00          -1.622150E-01
      2.290340E+00          -1.771880E-01
      1.193420E+00          -1.563550E-01
      5.937650E-01           2.360190E-01
      2.239870E-01           6.412110E-01
      8.902600E-02           2.955020E-01
Cu    P
      1.102940E+05           1.000000E-06
      2.693910E+04           1.100000E-05
      8.550710E+03           6.000000E-05
      3.246190E+03           3.200000E-04
      1.388460E+03           1.077000E-03
      6.424740E+02           4.161000E-03
      3.135700E+02           1.097500E-02
      1.591610E+02           3.357300E-02
      8.344140E+01           6.623500E-02
      4.501960E+01           1.425030E-01
      2.488940E+01           1.738220E-01
      1.397310E+01           4.655980E-01
      7.825710E+00          -1.358425E+00
      4.286320E+00          -8.867940E-01
      2.290340E+00           2.922628E+00
      1.193420E+00          -1.175841E+00
      5.937650E-01          -1.254904E+00
      2.239870E-01           1.842045E+00
      8.902600E-02          -1.045561E+00
Cu    P
      1.102940E+05           1.000000E-06
      2.693910E+04           6.000000E-06
      8.550710E+03           3.900000E-05
      3.246190E+03           1.650000E-04
      1.388460E+03           7.040000E-04
      6.424740E+02           2.138000E-03
      3.135700E+02           7.080000E-03
      1.591610E+02           1.696100E-02
      8.344140E+01           4.278600E-02
      4.501960E+01           6.727800E-02
      2.488940E+01           1.165020E-01
      1.397310E+01           7.551000E-02
      7.825710E+00          -1.668900E-02
      4.286320E+00          -5.141990E-01
      2.290340E+00          -3.794090E-01
      1.193420E+00           2.313430E-01
      5.937650E-01           1.061475E+00
      2.239870E-01          -2.667340E-01
      8.902600E-02          -6.195930E-01
Cu    P
      1.102940E+05           1.000000E-06
      2.693910E+04           8.000000E-06
      8.550710E+03           4.100000E-05
      3.246190E+03           2.330000E-04
      1.388460E+03           7.420000E-04
      6.424740E+02           3.022000E-03
      3.135700E+02           7.513000E-03
      1.591610E+02           2.413500E-02
      8.344140E+01           4.437900E-02
      4.501960E+01           1.022350E-01
      2.488940E+01           1.040660E-01
      1.397310E+01           2.338940E-01
      7.825710E+00          -2.861980E-01
      4.286320E+00          -8.434390E-01
      2.290340E+00          -1.843620E-01
      1.193420E+00           2.070339E+00
      5.937650E-01          -1.107660E+00
      2.239870E-01          -8.528460E-01
      8.902600E-02           1.016669E+00
Cu    P
      2.693910E+04           2.000000E-06
      8.550710E+03           1.000000E-05
      3.246190E+03           4.400000E-05
      1.388460E+03           1.720000E-04
      6.424740E+02           5.700000E-04
      3.135700E+02           1.736000E-03
      1.591610E+02           4.520000E-03
      8.344140E+01           1.040500E-02
      4.501960E+01           1.833200E-02
      2.488940E+01           2.638100E-02
      1.397310E+01           2.018600E-02
      7.825710E+00          -1.025000E-02
      4.286320E+00          -6.805400E-02
      2.290340E+00          -9.149700E-02
      1.193420E+00          -9.495000E-02
      5.937650E-01           3.640600E-02
      2.239870E-01           3.398340E-01
      8.902600E-02           5.281230E-01
Cu    P
      3.521300E-02           1.000000E+00
Cu    P
      0.0139300              1.0000000
Cu    D
      7.328930E+02           1.250000E-04
      2.207530E+02           1.198000E-03
      8.562680E+01           6.836000E-03
      3.771780E+01           2.626000E-02
      1.776470E+01           7.427300E-02
      8.764150E+00           1.588570E-01
      4.417866E+00           2.458580E-01
      2.218039E+00           2.865090E-01
      1.093531E+00           2.665050E-01
      5.230910E-01           1.965650E-01
      2.384750E-01           1.005970E-01
Cu    D
      7.328930E+02          -2.570000E-04
      2.207530E+02          -2.773000E-03
      8.562680E+01          -1.474500E-02
      3.771780E+01          -6.229000E-02
      1.776470E+01          -1.862120E-01
      8.764150E+00          -4.970340E-01
      4.417866E+00           5.197000E-03
      2.218039E+00           9.952550E-01
      1.093531E+00          -9.645000E-02
      5.230910E-01          -9.197540E-01
      2.384750E-01           2.428820E-01
Cu    D
      7.328930E+02           1.840000E-04
      2.207530E+02           1.807000E-03
      8.562680E+01           1.027700E-02
      3.771780E+01           4.042700E-02
      1.776470E+01           1.197510E-01
      8.764150E+00           2.799060E-01
      4.417866E+00           2.845770E-01
      2.218039E+00          -2.072750E-01
      1.093531E+00          -5.788020E-01
      5.230910E-01          -1.622250E-01
      2.384750E-01           5.200430E-01
Cu    D
      7.328930E+02          -1.550000E-04
      2.207530E+02          -1.488000E-03
      8.562680E+01          -8.527000E-03
      3.771780E+01          -3.295500E-02
      1.776470E+01          -9.556500E-02
      8.764150E+00          -2.099910E-01
      4.417866E+00          -2.920560E-01
      2.218039E+00          -1.738440E-01
      1.093531E+00           1.426460E-01
      5.230910E-01           3.835540E-01
      2.384750E-01           3.616940E-01
Cu    D
      7.328930E+02          -3.830000E-04
      2.207530E+02          -3.285000E-03
      8.562680E+01          -2.112500E-02
      3.771780E+01          -7.673600E-02
      1.776470E+01          -3.193880E-01
      8.764150E+00          -6.162490E-01
      4.417866E+00           1.222932E+00
      2.218039E+00           2.286340E-01
      1.093531E+00          -1.610143E+00
      5.230910E-01           1.026966E+00
      2.384750E-01           3.819150E-01
Cu    D
      1.000260E-01           1.000000E+00
Cu    D
      0.0419500              1.0000000
Cu    F
      1.091310E+01           1.000000E+00
Cu    F
      3.906300E+00           1.000000E+00
Cu    F
      1.398200E+00           1.000000E+00
Cu    F
      5.005000E-01           1.000000E+00
Cu    F
      0.1733900              1.0000000
Cu    G
      8.847600E+00           1.000000E+00
Cu    G
      3.125600E+00           1.000000E+00
Cu    G
      1.104200E+00           1.000000E+00
Cu    G
      0.4263700              1.0000000
Cu    H
      6.549000E+00           1.000000E+00
Cu    H
      2.102400E+00           1.000000E+00
Cu    H
      0.9050900              1.0000000
Cu    I
      4.942800E+00           1.0000000
Cu    I
      2.4474100              1.0000000
end
basis "Zn_aug-cc-pV5Z" SPHERICAL 
#basis SET: (218s,133p,57d,5f,4g,3h,2i) -> [10s,9p,7d,5f,4g,3h,2i]
Zn    S
      1.874130E+08           1.009014E-07
      3.351270E+07           6.704747E-07
      7.504750E+06           3.863166E-06
      2.017870E+06           1.756108E-05
      6.285780E+05           6.747146E-05
      2.201630E+05           2.265652E-04
      8.459520E+04           6.864596E-04
      3.495550E+04           1.919556E-03
      1.529030E+04           5.035036E-03
      6.994930E+03           1.249183E-02
      3.316590E+03           2.931174E-02
      1.619240E+03           6.427367E-02
      8.103430E+02           1.280292E-01
      4.143930E+02           2.196143E-01
      2.160580E+02           2.943285E-01
      1.146350E+02           2.592639E-01
      6.176230E+01           1.154133E-01
      3.369240E+01           1.748179E-02
      1.853150E+01           1.234470E-03
      1.021440E+01           1.030887E-05
      5.594280E+00           5.407386E-05
      3.009680E+00          -9.020925E-05
      1.566840E+00           1.229205E-05
      7.814370E-01          -1.291299E-05
      2.581180E-01           5.053007E-06
      1.385560E-01          -4.083295E-06
      6.617100E-02           1.774070E-06
Zn    S
      1.874130E+08          -3.115741E-08
      3.351270E+07          -2.070312E-07
      7.504750E+06          -1.192935E-06
      2.017870E+06          -5.422776E-06
      6.285780E+05          -2.083826E-05
      2.201630E+05          -6.998988E-05
      8.459520E+04          -2.122319E-04
      3.495550E+04          -5.944122E-04
      1.529030E+04          -1.565121E-03
      6.994930E+03          -3.912825E-03
      3.316590E+03          -9.329174E-03
      1.619240E+03          -2.109918E-02
      8.103430E+02          -4.460857E-02
      4.143930E+02          -8.543854E-02
      2.160580E+02          -1.398518E-01
      1.146350E+02          -1.674907E-01
      6.176230E+01          -7.864897E-02
      3.369240E+01           1.871467E-01
      1.853150E+01           4.773740E-01
      1.021440E+01           3.974608E-01
      5.594280E+00           1.119124E-01
      3.009680E+00           1.021018E-02
      1.566840E+00           1.535466E-03
      7.814370E-01           3.513273E-04
      2.581180E-01           8.700326E-06
      1.385560E-01           8.085928E-06
      6.617100E-02          -4.465779E-06
Zn    S
      1.874130E+08           1.176468E-08
      3.351270E+07           7.818630E-08
      7.504750E+06           4.504171E-07
      2.017870E+06           2.048043E-06
      6.285780E+05           7.867565E-06
      2.201630E+05           2.643679E-05
      8.459520E+04           8.013127E-05
      3.495550E+04           2.246143E-04
      1.529030E+04           5.912514E-04
      6.994930E+03           1.480820E-03
      3.316590E+03           3.533956E-03
      1.619240E+03           8.032240E-03
      8.103430E+02           1.708455E-02
      4.143930E+02           3.323558E-02
      2.160580E+02           5.573178E-02
      1.146350E+02           7.004526E-02
      6.176230E+01           3.460894E-02
      3.369240E+01          -9.417457E-02
      1.853150E+01          -3.185785E-01
      1.021440E+01          -3.740136E-01
      5.594280E+00          -7.223424E-03
      3.009680E+00           4.699051E-01
      1.566840E+00           5.650018E-01
      7.814370E-01           2.128446E-01
      2.581180E-01           1.020773E-02
      1.385560E-01          -3.216647E-03
      6.617100E-02           9.813901E-04
Zn    S
      1.874130E+08           6.708866E-09
      3.351270E+07           4.416620E-08
      7.504750E+06           2.575365E-07
      2.017870E+06           1.154012E-06
      6.285780E+05           4.513571E-06
      2.201630E+05           1.483194E-05
      8.459520E+04           4.621034E-05
      3.495550E+04           1.252604E-04
      1.529030E+04           3.431994E-04
      6.994930E+03           8.203610E-04
      3.316590E+03           2.066898E-03
      1.619240E+03           4.419789E-03
      8.103430E+02           1.011367E-02
      4.143930E+02           1.809426E-02
      2.160580E+02           3.416662E-02
      1.146350E+02           3.593265E-02
      6.176230E+01           3.074112E-02
      3.369240E+01          -7.752629E-02
      1.853150E+01          -1.679194E-01
      1.021440E+01          -3.562499E-01
      5.594280E+00           1.776982E-01
      3.009680E+00           4.749129E-01
      1.566840E+00           8.521909E-01
      7.814370E-01          -7.724873E-01
      2.581180E-01          -1.431914E+00
      1.385560E-01           4.991946E-01
      6.617100E-02           5.499585E-01
Zn    S
      1.874130E+08          -9.317884E-09
      3.351270E+07          -6.155607E-08
      7.504750E+06          -3.573416E-07
      2.017870E+06          -1.609881E-06
      6.285780E+05          -6.255093E-06
      2.201630E+05          -2.072444E-05
      8.459520E+04          -6.392044E-05
      3.495550E+04          -1.754269E-04
      1.529030E+04          -4.736661E-04
      6.994930E+03          -1.152085E-03
      3.316590E+03          -2.846504E-03
      1.619240E+03          -6.230027E-03
      8.103430E+02          -1.389848E-02
      4.143930E+02          -2.572496E-02
      2.160580E+02          -4.674972E-02
      1.146350E+02          -5.304136E-02
      6.176230E+01          -3.846676E-02
      3.369240E+01           9.700309E-02
      1.853150E+01           2.750132E-01
      1.021440E+01           6.149135E-01
      5.594280E+00          -4.648242E-01
      3.009680E+00          -1.468817E+00
      1.566840E+00          -6.123386E-02
      7.814370E-01           2.533326E+00
      2.581180E-01          -1.483831E+00
      1.385560E-01          -9.440243E-01
      6.617100E-02           9.934343E-01
Zn    S
      1.874130E+08           1.206066E-08
      3.351270E+07           8.110169E-08
      7.504750E+06           4.602050E-07
      2.017870E+06           2.130959E-06
      6.285780E+05           8.004527E-06
      2.201630E+05           2.765382E-05
      8.459520E+04           8.099310E-05
      3.495550E+04           2.367270E-04
      1.529030E+04           5.928609E-04
      6.994930E+03           1.574959E-03
      3.316590E+03           3.517111E-03
      1.619240E+03           8.651605E-03
      8.103430E+02           1.689628E-02
      4.143930E+02           3.686833E-02
      2.160580E+02           5.445003E-02
      1.146350E+02           8.690671E-02
      6.176230E+01           1.740443E-02
      3.369240E+01          -5.212573E-02
      1.853150E+01          -5.511726E-01
      1.021440E+01          -1.154350E+00
      5.594280E+00           2.146837E+00
      3.009680E+00           2.463242E+00
      1.566840E+00          -6.092793E+00
      7.814370E-01           3.260483E+00
      2.581180E-01           2.078412E+00
      1.385560E-01          -4.042447E+00
      6.617100E-02           1.742668E+00
Zn    S
      1.874130E+08          -2.356493E-09
      3.351270E+07          -1.565939E-08
      7.504750E+06          -9.022205E-08
      2.017870E+06          -4.101783E-07
      6.285780E+05          -1.575992E-06
      2.201630E+05          -5.294514E-06
      8.459520E+04          -1.605261E-05
      3.495550E+04          -4.498259E-05
      1.529030E+04          -1.184624E-04
      6.994930E+03          -2.965895E-04
      3.316590E+03          -7.083659E-04
      1.619240E+03          -1.609791E-03
      8.103430E+02          -3.429679E-03
      4.143930E+02          -6.677830E-03
      2.160580E+02          -1.124816E-02
      1.146350E+02          -1.419067E-02
      6.176230E+01          -7.119783E-03
      3.369240E+01           1.964233E-02
      1.853150E+01           6.866033E-02
      1.021440E+01           8.451691E-02
      5.594280E+00          -2.558593E-03
      3.009680E+00          -1.246873E-01
      1.566840E+00          -1.981732E-01
      7.814370E-01          -1.626983E-01
      2.581180E-01           1.212677E-01
      1.385560E-01           4.147624E-01
      6.617100E-02           4.840872E-01
Zn    S
      1.874130E+08           1.288013E-08
      3.351270E+07           7.963494E-08
      7.504750E+06           5.028311E-07
      2.017870E+06           2.044870E-06
      6.285780E+05           8.997462E-06
      2.201630E+05           2.548089E-05
      8.459520E+04           9.502563E-05
      3.495550E+04           2.057590E-04
      1.529030E+04           7.322220E-04
      6.994930E+03           1.279062E-03
      3.316590E+03           4.583798E-03
      1.619240E+03           6.488435E-03
      8.103430E+02           2.369604E-02
      4.143930E+02           2.360841E-02
      2.160580E+02           9.186954E-02
      1.146350E+02           1.584593E-02
      6.176230E+01           1.832209E-01
      3.369240E+01          -3.620858E-01
      1.853150E+01          -2.562035E-01
      1.021440E+01          -2.678416E+00
      5.594280E+00           8.318698E+00
      3.009680E+00          -7.754997E+00
      1.566840E+00           5.798922E-01
      7.814370E-01           4.480679E+00
      2.581180E-01          -7.985668E+00
      1.385560E-01           7.933133E+00
      6.617100E-02          -2.683339E+00
Zn    S
      3.098600E-02           1.000000E+00
Zn    S
      0.0145100              1.0000000
Zn    P
      1.103490E+05           3.000000E-06
      2.697130E+04           2.500000E-05
      8.560070E+03           1.540000E-04
      3.248800E+03           7.110000E-04
      1.389410E+03           2.726000E-03
      6.430430E+02           9.078000E-03
      3.140050E+02           2.664700E-02
      1.594890E+02           6.834900E-02
      8.366620E+01           1.462290E-01
      4.515740E+01           2.463660E-01
      2.496300E+01           3.093570E-01
      1.400430E+01           2.518340E-01
      7.832670E+00           1.075770E-01
      4.284100E+00           1.862300E-02
      2.289010E+00           1.840000E-03
      1.194360E+00           5.260000E-04
      5.942580E-01           1.340000E-04
      2.269140E-01           1.800000E-05
      9.017900E-02          -3.000000E-06
Zn    P
      1.103490E+05          -1.000000E-06
      2.697130E+04          -9.000000E-06
      8.560070E+03          -5.700000E-05
      3.248800E+03          -2.660000E-04
      1.389410E+03          -1.023000E-03
      6.430430E+02          -3.426000E-03
      3.140050E+02          -1.017800E-02
      1.594890E+02          -2.668400E-02
      8.366620E+01          -5.904400E-02
      4.515740E+01          -1.036450E-01
      2.496300E+01          -1.371860E-01
      1.400430E+01          -9.803000E-02
      7.832670E+00           7.828400E-02
      4.284100E+00           3.068960E-01
      2.289010E+00           4.020910E-01
      1.194360E+00           2.839960E-01
      5.942580E-01           8.692800E-02
      2.269140E-01           5.854000E-03
      9.017900E-02          -3.700000E-05
Zn    P
      1.103490E+05          -1.000000E-06
      2.697130E+04          -7.000000E-06
      8.560070E+03          -4.400000E-05
      3.248800E+03          -1.870000E-04
      1.389410E+03          -7.860000E-04
      6.430430E+02          -2.419000E-03
      3.140050E+02          -7.832000E-03
      1.594890E+02          -1.889200E-02
      8.366620E+01          -4.609500E-02
      4.515740E+01          -7.218700E-02
      2.496300E+01          -1.187060E-01
      1.400430E+01          -6.884500E-02
      7.832670E+00           6.125500E-02
      4.284100E+00           5.482940E-01
      2.289010E+00           2.972820E-01
      1.194360E+00          -2.716010E-01
      5.942580E-01          -1.037940E+00
      2.269140E-01           2.883290E-01
      9.017900E-02           5.829240E-01
Zn    P
      2.697130E+04           3.000000E-06
      8.560070E+03           1.900000E-05
      3.248800E+03           8.400000E-05
      1.389410E+03           3.350000E-04
      6.430430E+02           1.078000E-03
      3.140050E+02           3.342000E-03
      1.594890E+02           8.411000E-03
      8.366620E+01           1.956900E-02
      4.515740E+01           3.256700E-02
      2.496300E+01           4.778200E-02
      1.400430E+01           2.795700E-02
      7.832670E+00          -2.453000E-02
      4.284100E+00          -1.464900E-01
      2.289010E+00          -1.492570E-01
      1.194360E+00          -1.363180E-01
      5.942580E-01           1.989520E-01
      2.269140E-01           6.520570E-01
      9.017900E-02           3.101190E-01
Zn    P
      1.103490E+05           1.000000E-06
      2.697130E+04           1.100000E-05
      8.560070E+03           7.500000E-05
      3.248800E+03           3.070000E-04
      1.389410E+03           1.343000E-03
      6.430430E+02           3.979000E-03
      3.140050E+02           1.350800E-02
      1.594890E+02           3.151800E-02
      8.366620E+01           8.122400E-02
      4.515740E+01           1.177440E-01
      2.496300E+01           2.545370E-01
      1.400430E+01           2.804660E-01
      7.832670E+00          -1.381756E+00
      4.284100E+00          -5.845020E-01
      2.289010E+00           2.831955E+00
      1.194360E+00          -1.403082E+00
      5.942580E-01          -1.086640E+00
      2.269140E-01           1.853779E+00
      9.017900E-02          -1.111985E+00
Zn    P
      1.103490E+05           1.000000E-06
      2.697130E+04           9.000000E-06
      8.560070E+03           4.700000E-05
      3.248800E+03           2.580000E-04
      1.389410E+03           8.400000E-04
      6.430430E+02           3.329000E-03
      3.140050E+02           8.405000E-03
      1.594890E+02           2.621000E-02
      8.366620E+01           4.832600E-02
      4.515740E+01           1.064260E-01
      2.496300E+01           1.112430E-01
      1.400430E+01           2.196340E-01
      7.832670E+00          -3.785060E-01
      4.284100E+00          -8.342830E-01
      2.289010E+00           3.465100E-02
      1.194360E+00           1.966759E+00
      5.942580E-01          -1.224845E+00
      2.269140E-01          -7.377320E-01
      9.017900E-02           9.916440E-01
Zn    P
      2.697130E+04           2.000000E-06
      8.560070E+03           1.100000E-05
      3.248800E+03           4.900000E-05
      1.389410E+03           1.900000E-04
      6.430430E+02           6.280000E-04
      3.140050E+02           1.898000E-03
      1.594890E+02           4.905000E-03
      8.366620E+01           1.109100E-02
      4.515740E+01           1.911000E-02
      2.496300E+01           2.640400E-02
      1.400430E+01           1.704800E-02
      7.832670E+00          -1.677700E-02
      4.284100E+00          -7.228100E-02
      2.289010E+00          -8.883400E-02
      1.194360E+00          -8.550100E-02
      5.942580E-01           5.147700E-02
      2.269140E-01           3.482630E-01
      9.017900E-02           5.207130E-01
Zn    P
      3.571800E-02           1.000000E+00
Zn    P
      0.0141500              1.0000000
Zn    D
      8.541223E+02           1.100000E-04
      2.579496E+02           1.060000E-03
      1.002319E+02           6.127000E-03
      4.417621E+01           2.422700E-02
      2.078476E+01           7.056800E-02
      1.022756E+01           1.554220E-01
      5.151241E+00           2.464650E-01
      2.590847E+00           2.908540E-01
      1.285801E+00           2.696230E-01
      6.253440E-01           1.932020E-01
      2.939430E-01           9.282400E-02
Zn    D
      8.541223E+02           2.020000E-04
      2.579496E+02           2.292000E-03
      1.002319E+02           1.194800E-02
      4.417621E+01           5.348900E-02
      2.078476E+01           1.599570E-01
      1.022756E+01           4.633290E-01
      5.151241E+00           1.892000E-03
      2.590847E+00          -9.592480E-01
      1.285801E+00           1.085530E-01
      6.253440E-01           9.818850E-01
      2.939430E-01          -3.019870E-01
Zn    D
      8.541223E+02           1.540000E-04
      2.579496E+02           1.484000E-03
      1.002319E+02           8.615000E-03
      4.417621E+01           3.432800E-02
      2.078476E+01           1.026560E-01
      1.022756E+01           2.346230E-01
      5.151241E+00           3.308580E-01
      2.590847E+00           1.664140E-01
      1.285801E+00          -2.191500E-01
      6.253440E-01          -4.171790E-01
      2.939430E-01          -2.879880E-01
Zn    D
      8.541223E+02           1.680000E-04
      2.579496E+02           1.686000E-03
      1.002319E+02           9.552000E-03
      4.417621E+01           3.916900E-02
      2.078476E+01           1.185400E-01
      1.022756E+01           3.060170E-01
      5.151241E+00           2.800330E-01
      2.590847E+00          -3.570440E-01
      1.285801E+00          -5.566930E-01
      6.253440E-01          -3.407000E-03
      2.939430E-01           5.550480E-01
Zn    D
      8.541223E+02          -3.210000E-04
      2.579496E+02          -2.813000E-03
      1.002319E+02          -1.802800E-02
      4.417621E+01          -6.798500E-02
      2.078476E+01          -2.814680E-01
      1.022756E+01          -6.396470E-01
      5.151241E+00           1.082969E+00
      2.590847E+00           4.414690E-01
      1.285801E+00          -1.689230E+00
      6.253440E-01           9.011120E-01
      2.939430E-01           6.121440E-01
Zn    D
      1.289970E-01           1.000000E+00
Zn    D
      0.0566100              1.0000000
Zn    F
      1.216690E+01           1.000000E+00
Zn    F
      4.391500E+00           1.000000E+00
Zn    F
      1.585000E+00           1.000000E+00
Zn    F
      5.721000E-01           1.000000E+00
Zn    F
      0.2010100              1.0000000
Zn    G
      9.629900E+00           1.000000E+00
Zn    G
      3.392400E+00           1.000000E+00
Zn    G
      1.195100E+00           1.000000E+00
Zn    G
      0.4613900              1.0000000
Zn    H
      7.473800E+00           1.000000E+00
Zn    H
      2.425000E+00           1.000000E+00
Zn    H
      1.0655400              1.0000000
Zn    I
      5.548700E+00           1.0000000
Zn    I
      2.7941400              1.0000000
end
basis "Ga_aug-cc-pV5Z" SPHERICAL 
#basis SET: (93s,44p,14d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Ga    S
      1.086152E+08           2.400000E-07
      1.626454E+07           1.860000E-06
      3.700112E+06           9.800000E-06
      1.047169E+06           4.152000E-05
      3.410676E+05           1.520500E-04
      1.227715E+05           5.007700E-04
      4.765958E+04           1.518700E-03
      1.963335E+04           4.302500E-03
      8.488735E+03           1.145230E-02
      3.823138E+03           2.856400E-02
      1.784476E+03           6.574850E-02
      8.600530E+02           1.352895E-01
      4.266987E+02           2.345514E-01
      2.172616E+02           3.078351E-01
      1.129699E+02           2.529947E-01
      5.944944E+01           9.601040E-02
      3.078226E+01           9.788500E-03
      1.642321E+01           5.912000E-04
      8.757889E+00          -5.540000E-05
      4.409629E+00           1.380000E-05
      2.249449E+00          -6.420000E-05
      1.126115E+00           1.690000E-05
Ga    S
      1.086152E+08          -7.000000E-08
      1.626454E+07          -5.800000E-07
      3.700112E+06          -3.030000E-06
      1.047169E+06          -1.287000E-05
      3.410676E+05          -4.714000E-05
      1.227715E+05          -1.553000E-04
      4.765958E+04          -4.718000E-04
      1.963335E+04          -1.340500E-03
      8.488735E+03          -3.595500E-03
      3.823138E+03          -9.101600E-03
      1.784476E+03          -2.163600E-02
      8.600530E+02          -4.733650E-02
      4.266987E+02          -9.249970E-02
      2.172616E+02          -1.504351E-01
      1.129699E+02          -1.721227E-01
      5.944944E+01          -4.401790E-02
      3.078226E+01           2.973828E-01
      1.642321E+01           5.279748E-01
      8.757889E+00           3.008905E-01
      4.409629E+00           4.588190E-02
      2.249449E+00           1.282800E-03
      1.126115E+00           1.258800E-03
Ga    S
      1.086152E+08           3.000000E-08
      1.626454E+07           2.200000E-07
      3.700112E+06           1.160000E-06
      1.047169E+06           4.910000E-06
      3.410676E+05           1.798000E-05
      1.227715E+05           5.920000E-05
      4.765958E+04           1.801000E-04
      1.963335E+04           5.114000E-04
      8.488735E+03           1.374000E-03
      3.823138E+03           3.481800E-03
      1.784476E+03           8.316900E-03
      8.600530E+02           1.831800E-02
      4.266987E+02           3.639030E-02
      2.172616E+02           6.080830E-02
      1.129699E+02           7.329390E-02
      5.944944E+01           1.974160E-02
      3.078226E+01          -1.612970E-01
      1.642321E+01          -4.021948E-01
      8.757889E+00          -2.927248E-01
      4.409629E+00           2.706942E-01
      2.249449E+00           6.359759E-01
      1.126115E+00           3.702489E-01
Ga    S
      1.086152E+08          -7.000000E-09
      1.626454E+07          -5.100000E-08
      3.700112E+06          -2.700000E-07
      1.047169E+06          -1.142000E-06
      3.410676E+05          -4.183000E-06
      1.227715E+05          -1.378100E-05
      4.765958E+04          -4.188200E-05
      1.963335E+04          -1.190230E-04
      8.488735E+03          -3.196000E-04
      3.823138E+03          -8.107000E-04
      1.784476E+03          -1.936000E-03
      8.600530E+02          -4.272200E-03
      4.266987E+02          -8.494500E-03
      2.172616E+02          -1.427090E-02
      1.129699E+02          -1.726810E-02
      5.944944E+01          -4.778200E-03
      3.078226E+01           3.949270E-02
      1.642321E+01           1.027200E-01
      8.757889E+00           7.735290E-02
      4.409629E+00          -8.495650E-02
      2.249449E+00          -2.219834E-01
      1.126115E+00          -2.532089E-01
Ga    S
      5.154860E-01           1.000000E+00
Ga    S
      2.425780E-01           1.000000E+00
Ga    S
      1.070860E-01           1.000000E+00
Ga    S
      4.698800E-02           1.000000E+00
Ga    S
      0.0173010              1.0000000
Ga    P
      3.215219E+04           2.830000E-05
      7.609384E+03           2.529000E-04
      2.471474E+03           1.468600E-03
      9.460636E+02           6.562700E-03
      4.019471E+02           2.380230E-02
      1.836469E+02           7.089450E-02
      8.853326E+01           1.676384E-01
      4.427036E+01           2.959754E-01
      2.272308E+01           3.488610E-01
      1.182314E+01           2.175496E-01
      6.042135E+00           5.205110E-02
      3.031754E+00           3.437800E-03
      1.493366E+00           9.833000E-04
Ga    P
      3.215219E+04          -1.070000E-05
      7.609384E+03          -9.580000E-05
      2.471474E+03          -5.582000E-04
      9.460636E+02          -2.504000E-03
      4.019471E+02          -9.199600E-03
      1.836469E+02          -2.799730E-02
      8.853326E+01          -6.887460E-02
      4.427036E+01          -1.273843E-01
      2.272308E+01          -1.585889E-01
      1.182314E+01          -4.249680E-02
      6.042135E+00           2.441440E-01
      3.031754E+00           4.459111E-01
      1.493366E+00           3.529522E-01
Ga    P
      3.215219E+04           1.700000E-06
      7.609384E+03           1.580000E-05
      2.471474E+03           9.080000E-05
      9.460636E+02           4.120000E-04
      4.019471E+02           1.498400E-03
      1.836469E+02           4.625200E-03
      8.853326E+01           1.127130E-02
      4.427036E+01           2.132120E-02
      2.272308E+01           2.595230E-02
      1.182314E+01           6.632000E-03
      6.042135E+00          -5.017040E-02
      3.031754E+00          -8.429770E-02
      1.493366E+00          -9.030230E-02
Ga    P
      7.097270E-01           1.000000E+00
Ga    P
      2.485930E-01           1.000000E+00
Ga    P
      9.439500E-02           1.000000E+00
Ga    P
      3.588700E-02           1.000000E+00
Ga    P
      0.0110500              1.0000000
Ga    D
      1.040505E+03           8.920000E-05
      3.145971E+02           8.625000E-04
      1.227876E+02           5.009400E-03
      5.476037E+01           1.996490E-02
      2.629894E+01           5.832140E-02
      1.326345E+01           1.316868E-01
      6.885065E+00           2.218676E-01
      3.579525E+00           2.825059E-01
      1.831564E+00           2.831989E-01
Ga    D
      9.129090E-01           1.000000E+00
Ga    D
      4.353400E-01           1.000000E+00
Ga    D
      1.885180E-01           1.000000E+00
Ga    D
      7.580000E-02           1.000000E+00
Ga    D
      0.0260000              1.0000000
Ga    F
      5.960000E-01           1.000000E+00
Ga    F
      2.826000E-01           1.000000E+00
Ga    F
      1.340000E-01           1.000000E+00
Ga    F
      0.0511000              1.0000000
Ga    G
      6.146000E-01           1.000000E+00
Ga    G
      2.750000E-01           1.000000E+00
Ga    G
      0.1140000              1.0000000
Ga    H
      4.986000E-01           1.0000000
Ga    H
      0.2540000              1.0000000
end
basis "Ge_aug-cc-pV5Z" SPHERICAL 
#basis SET: (93s,44p,14d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Ge    S
      1.220012E+08           2.200000E-07
      1.825747E+07           1.750000E-06
      4.150822E+06           9.200000E-06
      1.174102E+06           3.899000E-05
      3.823092E+05           1.428000E-04
      1.376080E+05           4.703000E-04
      5.341924E+04           1.426700E-03
      2.200576E+04           4.043400E-03
      9.513848E+03           1.077320E-02
      4.284176E+03           2.692730E-02
      1.999166E+03           6.223740E-02
      9.632472E+02           1.290382E-01
      4.778050E+02           2.267312E-01
      2.433159E+02           3.048903E-01
      1.266400E+02           2.617662E-01
      6.678358E+01           1.076348E-01
      3.441608E+01           1.262340E-02
      1.837281E+01           3.918000E-04
      9.805461E+00           8.120000E-05
      4.969403E+00          -4.890000E-05
      2.548623E+00          -3.170000E-05
      1.284594E+00          -1.090000E-06
Ge    S
      1.220012E+08          -7.000000E-08
      1.825747E+07          -5.400000E-07
      4.150822E+06          -2.860000E-06
      1.174102E+06          -1.213000E-05
      3.823092E+05          -4.443000E-05
      1.376080E+05          -1.464000E-04
      5.341924E+04          -4.447000E-04
      2.200576E+04          -1.263700E-03
      9.513848E+03          -3.392000E-03
      4.284176E+03          -8.597900E-03
      1.999166E+03          -2.049640E-02
      9.632472E+02          -4.505710E-02
      4.778050E+02          -8.879220E-02
      2.433159E+02          -1.466299E-01
      1.266400E+02          -1.743140E-01
      6.678358E+01          -6.116560E-02
      3.441608E+01           2.716690E-01
      1.837281E+01           5.280226E-01
      9.805461E+00           3.240138E-01
      4.969403E+00           5.441770E-02
      2.548623E+00           1.446300E-03
      1.284594E+00           1.424800E-03
Ge    S
      1.220012E+08           3.000000E-08
      1.825747E+07           2.100000E-07
      4.150822E+06           1.100000E-06
      1.174102E+06           4.670000E-06
      3.823092E+05           1.713000E-05
      1.376080E+05           5.640000E-05
      5.341924E+04           1.715000E-04
      2.200576E+04           4.872000E-04
      9.513848E+03           1.309700E-03
      4.284176E+03           3.323200E-03
      1.999166E+03           7.959100E-03
      9.632472E+02           1.760970E-02
      4.778050E+02           3.525760E-02
      2.433159E+02           5.976870E-02
      1.266400E+02           7.474060E-02
      6.678358E+01           2.778630E-02
      3.441608E+01          -1.472878E-01
      1.837281E+01          -3.974202E-01
      9.805461E+00          -3.205666E-01
      4.969403E+00           2.331968E-01
      2.548623E+00           6.424890E-01
      1.284594E+00           3.966684E-01
Ge    S
      1.220012E+08          -7.000000E-09
      1.825747E+07          -5.400000E-08
      4.150822E+06          -2.830000E-07
      1.174102E+06          -1.120000E-06
      3.823092E+05          -4.391000E-06
      1.376080E+05          -1.446100E-05
      5.341924E+04          -4.396500E-05
      2.200576E+04          -1.249000E-04
      9.513848E+03          -3.358000E-04
      4.284176E+03          -8.525000E-04
      1.999166E+03          -2.042400E-03
      9.632472E+02          -4.524500E-03
      4.778050E+02          -9.074400E-03
      2.433159E+02          -1.544830E-02
      1.266400E+02          -1.943380E-02
      6.678358E+01          -7.328900E-03
      3.441608E+01           3.964850E-02
      1.837281E+01           1.121796E-01
      9.805461E+00           9.356860E-02
      4.969403E+00          -8.064590E-02
      2.548623E+00          -2.501109E-01
      1.284594E+00          -2.978099E-01
Ge    S
      5.833530E-01           1.000000E+00
Ge    S
      2.934390E-01           1.000000E+00
Ge    S
      1.326720E-01           1.000000E+00
Ge    S
      5.923900E-02           1.000000E+00
Ge    S
      0.0242740              1.0000000
Ge    P
      3.231497E+04           3.160000E-05
      7.648200E+03           2.820000E-04
      2.484211E+03           1.635300E-03
      9.510031E+02           7.286400E-03
      4.040483E+02           2.629310E-02
      1.846035E+02           7.759430E-02
      8.896413E+01           1.803653E-01
      4.444774E+01           3.095354E-01
      2.279907E+01           3.454752E-01
      1.183593E+01           1.963290E-01
      6.011294E+00           4.090680E-02
      2.995784E+00           2.419700E-03
      1.469570E+00           8.003000E-04
Ge    P
      3.231497E+04          -1.220000E-05
      7.648200E+03          -1.084000E-04
      2.484211E+03          -6.311000E-04
      9.510031E+02          -2.824300E-03
      4.040483E+02          -1.033170E-02
      1.846035E+02          -3.121020E-02
      8.896413E+01          -7.559540E-02
      4.444774E+01          -1.362944E-01
      2.279907E+01          -1.590150E-01
      1.183593E+01          -1.498050E-02
      6.011294E+00           2.868225E-01
      2.995784E+00           4.626656E-01
      1.469570E+00           3.168505E-01
Ge    P
      3.231497E+04           2.400000E-06
      7.648200E+03           2.140000E-05
      2.484211E+03           1.243000E-04
      9.510031E+02           5.589000E-04
      4.040483E+02           2.038300E-03
      1.846035E+02           6.201600E-03
      8.896413E+01           1.501060E-02
      4.444774E+01           2.741270E-02
      2.279907E+01           3.177960E-02
      1.183593E+01           9.228000E-04
      6.011294E+00          -6.983420E-02
      2.995784E+00          -1.119600E-01
      1.469570E+00          -9.935650E-02
Ge    P
      6.906810E-01           1.000000E+00
Ge    P
      2.861600E-01           1.000000E+00
Ge    P
      1.177420E-01           1.000000E+00
Ge    P
      4.738500E-02           1.000000E+00
Ge    P
      0.0175930              1.0000000
Ge    D
      1.226798E+03           7.630000E-05
      3.712322E+02           7.425000E-04
      1.448910E+02           4.375600E-03
      6.460413E+01           1.792570E-02
      3.103974E+01           5.392530E-02
      1.564387E+01           1.257191E-01
      8.125822E+00           2.191566E-01
      4.239762E+00           2.860662E-01
      2.186386E+00           2.896504E-01
Ge    D
      1.103871E+00           1.000000E+00
Ge    D
      5.338110E-01           1.000000E+00
Ge    D
      2.313550E-01           1.000000E+00
Ge    D
      9.530000E-02           1.000000E+00
Ge    D
      0.0364000              1.0000000
Ge    F
      6.709000E-01           1.000000E+00
Ge    F
      3.297000E-01           1.000000E+00
Ge    F
      1.630000E-01           1.000000E+00
Ge    F
      0.0705000              1.0000000
Ge    G
      7.034000E-01           1.000000E+00
Ge    G
      3.160000E-01           1.000000E+00
Ge    G
      0.1460000              1.0000000
Ge    H
      5.815000E-01           1.0000000
Ge    H
      0.3200000              1.0000000
end
basis "As_aug-cc-pV5Z" SPHERICAL 
#basis SET: (93s,44p,14d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
As    S
      1.375075E+08           2.100000E-07
      2.051505E+07           1.630000E-06
      4.648716E+06           8.650000E-06
      1.311265E+06           3.676000E-05
      4.261859E+05           1.348800E-04
      1.532371E+05           4.446000E-04
      5.945940E+04           1.348800E-03
      2.449281E+04           3.823100E-03
      1.059025E+04           1.019080E-02
      4.769784E+03           2.550270E-02
      2.226370E+03           5.911040E-02
      1.073086E+03           1.232888E-01
      5.325006E+02           2.191743E-01
      2.712976E+02           3.013612E-01
      1.413119E+02           2.694892E-01
      7.458443E+01           1.191270E-01
      3.829834E+01           1.569800E-02
      2.046913E+01           2.047000E-04
      1.093958E+01           2.236000E-04
      5.590367E+00          -1.168000E-04
      2.882859E+00           4.190000E-06
      1.466086E+00          -2.167000E-05
As    S
      1.375075E+08          -7.000000E-08
      2.051505E+07          -5.100000E-07
      4.648716E+06          -2.700000E-06
      1.311265E+06          -1.147000E-05
      4.261859E+05          -4.210000E-05
      1.532371E+05          -1.388000E-04
      5.945940E+04          -4.218000E-04
      2.449281E+04          -1.198400E-03
      1.059025E+04          -3.217400E-03
      4.769784E+03          -8.159800E-03
      2.226370E+03          -1.948340E-02
      1.073086E+03          -4.297870E-02
      5.325006E+02          -8.529870E-02
      2.712976E+02          -1.428402E-01
      1.413119E+02          -1.757282E-01
      7.458443E+01          -7.641270E-02
      3.829834E+01           2.466575E-01
      2.046913E+01           5.253824E-01
      1.093958E+01           3.459724E-01
      5.590367E+00           6.395330E-02
      2.882859E+00           1.829900E-03
      1.466086E+00           1.564500E-03
As    S
      1.375075E+08           3.000000E-08
      2.051505E+07           2.000000E-07
      4.648716E+06           1.050000E-06
      1.311265E+06           4.470000E-06
      4.261859E+05           1.640000E-05
      1.532371E+05           5.404000E-05
      5.945940E+04           1.643000E-04
      2.449281E+04           4.669000E-04
      1.059025E+04           1.255200E-03
      4.769784E+03           3.186900E-03
      2.226370E+03           7.643200E-03
      1.073086E+03           1.696690E-02
      5.325006E+02           3.419090E-02
      2.712976E+02           5.872870E-02
      1.413119E+02           7.588560E-02
      7.458443E+01           3.506140E-02
      3.829834E+01          -1.338623E-01
      2.046913E+01          -3.913634E-01
      1.093958E+01          -3.462820E-01
      5.590367E+00           1.941327E-01
      2.882859E+00           6.451986E-01
      1.466086E+00           4.234813E-01
As    S
      1.375075E+08          -7.000000E-09
      2.051505E+07          -5.500000E-08
      4.648716E+06          -2.890000E-07
      1.311265E+06          -1.230000E-06
      4.261859E+05          -4.517000E-06
      1.532371E+05          -1.488400E-05
      5.945940E+04          -4.526500E-05
      2.449281E+04          -1.285820E-04
      1.059025E+04          -3.458010E-04
      4.769784E+03          -8.780310E-04
      2.226370E+03          -2.107300E-03
      1.073086E+03          -4.681700E-03
      5.325006E+02          -9.455800E-03
      2.712976E+02          -1.629900E-02
      1.413119E+02          -2.121380E-02
      7.458443E+01          -9.894400E-03
      3.829834E+01           3.863790E-02
      2.046913E+01           1.188893E-01
      1.093958E+01           1.088990E-01
      5.590367E+00          -7.220790E-02
      2.882859E+00          -2.718000E-01
      1.466086E+00          -3.371662E-01
As    S
      6.748390E-01           1.000000E+00
As    S
      3.463990E-01           1.000000E+00
As    S
      1.592890E-01           1.000000E+00
As    S
      7.210900E-02           1.000000E+00
As    S
      0.0294180              1.0000000
As    P
      3.416616E+04           3.220000E-05
      8.086561E+03           2.868000E-04
      2.626511E+03           1.663300E-03
      1.005395E+03           7.412500E-03
      4.271273E+02           2.675120E-02
      1.951511E+02           7.889440E-02
      9.405431E+01           1.829916E-01
      4.699988E+01           3.124941E-01
      2.411746E+01           3.445322E-01
      1.251998E+01           1.916436E-01
      6.357325E+00           3.871360E-02
      3.168052E+00           2.241800E-03
      1.553481E+00           7.209000E-04
As    P
      3.416616E+04          -1.260000E-05
      8.086561E+03          -1.119000E-04
      2.626511E+03          -6.516000E-04
      1.005395E+03          -2.917300E-03
      4.271273E+02          -1.067380E-02
      1.951511E+02          -3.224550E-02
      9.405431E+01          -7.797310E-02
      4.699988E+01          -1.401038E-01
      2.411746E+01          -1.607132E-01
      1.251998E+01          -7.670300E-03
      6.357325E+00           3.007983E-01
      3.168052E+00           4.715878E-01
      1.553481E+00           3.032064E-01
As    P
      3.416616E+04           2.800000E-06
      8.086561E+03           2.490000E-05
      2.626511E+03           1.451000E-04
      1.005395E+03           6.504000E-04
      4.271273E+02           2.381800E-03
      1.951511E+02           7.220700E-03
      9.405431E+01           1.753180E-02
      4.699988E+01           3.174140E-02
      2.411746E+01           3.654490E-02
      1.251998E+01          -1.602400E-03
      6.357325E+00          -8.246440E-02
      3.168052E+00          -1.344372E-01
      1.553481E+00          -1.051686E-01
As    P
      7.103250E-01           1.000000E+00
As    P
      3.209550E-01           1.000000E+00
As    P
      1.393570E-01           1.000000E+00
As    P
      5.841000E-02           1.000000E+00
As    P
      0.0220430              1.0000000
As    D
      1.424451E+03           6.660000E-05
      4.310668E+02           6.537000E-04
      1.681286E+02           3.904100E-03
      7.486672E+01           1.639190E-02
      3.594586E+01           5.062320E-02
      1.809847E+01           1.211021E-01
      9.405780E+00           2.168169E-01
      4.923904E+00           2.887452E-01
      2.556493E+00           2.947769E-01
As    D
      1.304233E+00           1.000000E+00
As    D
      6.371180E-01           1.000000E+00
As    D
      2.757950E-01           1.000000E+00
As    D
      1.153000E-01           1.000000E+00
As    D
      0.0488000              1.0000000
As    F
      7.599000E-01           1.000000E+00
As    F
      3.859000E-01           1.000000E+00
As    F
      1.960000E-01           1.000000E+00
As    F
      0.0899000              1.0000000
As    G
      8.092000E-01           1.000000E+00
As    G
      3.700000E-01           1.000000E+00
As    G
      0.1655000              1.0000000
As    H
      6.773000E-01           1.0000000
As    H
      0.3668000              1.0000000
end
basis "Se_aug-cc-pV5Z" SPHERICAL 
#basis SET: (93s,44p,14d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Se    S
      1.544322E+08           1.900000E-07
      2.312921E+07           1.510000E-06
      5.261793E+06           7.960000E-06
      1.488817E+06           3.375000E-05
      4.846566E+05           1.237200E-04
      1.742706E+05           4.083900E-04
      6.752909E+04           1.243100E-03
      2.775084E+04           3.538900E-03
      1.196422E+04           9.482200E-03
      5.370715E+03           2.389010E-02
      2.497319E+03           5.587570E-02
      1.198768E+03           1.179104E-01
      5.925803E+02           2.127962E-01
      3.009771E+02           2.989304E-01
      1.564602E+02           2.765651E-01
      8.247609E+01           1.292941E-01
      4.227089E+01           1.858750E-02
      2.263022E+01           7.730000E-05
      1.212237E+01           3.427000E-04
      6.249170E+00          -1.753000E-04
      3.242678E+00           3.570000E-05
      1.666362E+00          -4.065000E-05
Se    S
      1.544322E+08          -6.000000E-08
      2.312921E+07          -4.700000E-07
      5.261793E+06          -2.490000E-06
      1.488817E+06          -1.056000E-05
      4.846566E+05          -3.873000E-05
      1.742706E+05          -1.278600E-04
      6.752909E+04          -3.898000E-04
      2.775084E+04          -1.112300E-03
      1.196422E+04          -3.000700E-03
      5.370715E+03          -7.656300E-03
      2.497319E+03          -1.842210E-02
      1.198768E+03          -4.101840E-02
      5.925803E+02          -8.230260E-02
      3.009771E+02          -1.398840E-01
      1.564602E+02          -1.770337E-01
      8.247609E+01          -8.877610E-02
      4.227089E+01           2.251537E-01
      2.263022E+01           5.207171E-01
      1.212237E+01           3.645093E-01
      6.249170E+00           7.361690E-02
      3.242678E+00           2.354000E-03
      1.666362E+00           1.694700E-03
Se    S
      1.544322E+08           2.000000E-08
      2.312921E+07           1.900000E-07
      5.261793E+06           9.800000E-07
      1.488817E+06           4.150000E-06
      4.846566E+05           1.524000E-05
      1.742706E+05           5.031000E-05
      6.752909E+04           1.534600E-04
      2.775084E+04           4.378000E-04
      1.196422E+04           1.182700E-03
      5.370715E+03           3.020800E-03
      2.497319E+03           7.299200E-03
      1.198768E+03           1.635280E-02
      5.925803E+02           3.329620E-02
      3.009771E+02           5.801390E-02
      1.564602E+02           7.702330E-02
      8.247609E+01           4.110650E-02
      4.227089E+01          -1.225782E-01
      2.263022E+01          -3.853397E-01
      1.212237E+01          -3.675073E-01
      6.249170E+00           1.574340E-01
      3.242678E+00           6.440872E-01
      1.666362E+00           4.482209E-01
Se    S
      1.544322E+08          -7.000000E-09
      2.312921E+07          -5.400000E-08
      5.261793E+06          -2.870000E-07
      1.488817E+06          -1.214000E-06
      4.846566E+05          -4.456000E-06
      1.742706E+05          -1.470600E-05
      6.752909E+04          -4.487100E-05
      2.775084E+04          -1.279890E-04
      1.196422E+04          -3.457020E-04
      5.370715E+03          -8.834000E-04
      2.497319E+03          -2.136300E-03
      1.198768E+03          -4.789200E-03
      5.925803E+02          -9.775800E-03
      3.009771E+02          -1.708770E-02
      1.564602E+02          -2.286560E-02
      8.247609E+01          -1.230280E-02
      4.227089E+01           3.752540E-02
      2.263022E+01           1.244342E-01
      1.212237E+01           1.231195E-01
      6.249170E+00          -6.243300E-02
      3.242678E+00          -2.894834E-01
      1.666362E+00          -3.744399E-01
Se    S
      7.872640E-01           1.000000E+00
Se    S
      4.029720E-01           1.000000E+00
Se    S
      1.870960E-01           1.000000E+00
Se    S
      8.470600E-02           1.000000E+00
Se    S
      0.0339350              1.0000000
Se    P
      3.651134E+04           3.200000E-05
      8.640551E+03           2.854000E-04
      2.805691E+03           1.656700E-03
      1.073496E+03           7.395500E-03
      4.557747E+02           2.675430E-02
      2.080943E+02           7.909890E-02
      1.002311E+02           1.837967E-01
      5.007352E+01           3.138041E-01
      2.570026E+01           3.443650E-01
      1.334679E+01           1.898591E-01
      6.787051E+00           3.791930E-02
      3.391654E+00           2.178100E-03
      1.670327E+00           6.590000E-04
Se    P
      3.651134E+04          -1.270000E-05
      8.640551E+03          -1.130000E-04
      2.805691E+03          -6.582000E-04
      1.073496E+03          -2.952800E-03
      4.557747E+02          -1.082890E-02
      2.080943E+02          -3.281240E-02
      1.002311E+02          -7.950700E-02
      5.007352E+01          -1.430274E-01
      2.570026E+01          -1.627787E-01
      1.334679E+01          -4.298300E-03
      6.787051E+00           3.091829E-01
      3.391654E+00           4.776013E-01
      1.670327E+00           2.928526E-01
Se    P
      3.651134E+04           3.100000E-06
      8.640551E+03           2.730000E-05
      2.805691E+03           1.593000E-04
      1.073496E+03           7.136000E-04
      4.557747E+02           2.626000E-03
      2.080943E+02           7.966700E-03
      1.002311E+02           1.944400E-02
      5.007352E+01           3.513280E-02
      2.570026E+01           4.040280E-02
      1.334679E+01          -3.396900E-03
      6.787051E+00          -9.209990E-02
      3.391654E+00          -1.535090E-01
      1.670327E+00          -1.058705E-01
Se    P
      7.525990E-01           1.000000E+00
Se    P
      3.468130E-01           1.000000E+00
Se    P
      1.518550E-01           1.000000E+00
Se    P
      6.385600E-02           1.000000E+00
Se    P
      0.0249750              1.0000000
Se    D
      1.635066E+03           5.910000E-05
      4.946727E+02           5.840000E-04
      1.928439E+02           3.525600E-03
      8.578220E+01           1.511270E-02
      4.114997E+01           4.784460E-02
      2.067817E+01           1.174345E-01
      1.072639E+01           2.159074E-01
      5.612454E+00           2.929216E-01
      2.920376E+00           3.000864E-01
Se    D
      1.498184E+00           1.000000E+00
Se    D
      7.359990E-01           1.000000E+00
Se    D
      3.160040E-01           1.000000E+00
Se    D
      1.331000E-01           1.000000E+00
Se    D
      0.0548000              1.0000000
Se    F
      8.442000E-01           1.000000E+00
Se    F
      4.211000E-01           1.000000E+00
Se    F
      2.100000E-01           1.000000E+00
Se    F
      0.0992000              1.0000000
Se    G
      8.659000E-01           1.000000E+00
Se    G
      3.850000E-01           1.000000E+00
Se    G
      0.1830000              1.0000000
Se    H
      7.235000E-01           1.0000000
Se    H
      0.4020000              1.0000000
end
basis "Br_aug-cc-pV5Z" SPHERICAL 
#basis SET: (93s,44p,14d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Br    S
      1.657352E+08           1.900000E-07
      2.477438E+07           1.490000E-06
      5.628202E+06           7.880000E-06
      1.591900E+06           3.339000E-05
      5.182638E+05           1.223100E-04
      1.864909E+05           4.032100E-04
      7.233249E+04           1.225640E-03
      2.976113E+04           3.482350E-03
      1.285171E+04           9.308560E-03
      5.780943E+03           2.338830E-02
      2.695010E+03           5.455300E-02
      1.297660E+03           1.149479E-01
      6.436349E+02           2.079225E-01
      3.279519E+02           2.951596E-01
      1.709226E+02           2.798766E-01
      9.025014E+01           1.369752E-01
      4.629247E+01           2.121540E-02
      2.484866E+01          -2.540000E-05
      1.334714E+01           4.570000E-04
      6.948258E+00          -2.348000E-04
      3.625075E+00           6.858000E-05
      1.882153E+00          -6.116000E-05
Br    S
      1.657352E+08          -6.000000E-08
      2.477438E+07          -4.700000E-07
      5.628202E+06          -2.470000E-06
      1.591900E+06          -1.048000E-05
      5.182638E+05          -3.840000E-05
      1.864909E+05          -1.266000E-04
      7.233249E+04          -3.854500E-04
      2.976113E+04          -1.097610E-03
      1.285171E+04          -2.953790E-03
      5.780943E+03          -7.514600E-03
      2.695010E+03          -1.802300E-02
      1.297660E+03          -4.002550E-02
      6.436349E+02          -8.029190E-02
      3.279519E+02          -1.372166E-01
      1.709226E+02          -1.769439E-01
      9.025014E+01          -9.770330E-02
      4.629247E+01           2.067633E-01
      2.484866E+01           5.148419E-01
      1.334714E+01           3.799206E-01
      6.948258E+00           8.301280E-02
      3.625075E+00           3.215700E-03
      1.882153E+00           1.712900E-03
Br    S
      1.657352E+08           2.000000E-08
      2.477438E+07           1.900000E-07
      5.628202E+06           9.800000E-07
      1.591900E+06           4.160000E-06
      5.182638E+05           1.526000E-05
      1.864909E+05           5.031000E-05
      7.233249E+04           1.532500E-04
      2.976113E+04           4.363700E-04
      1.285171E+04           1.175800E-03
      5.780943E+03           2.994600E-03
      2.695010E+03           7.211900E-03
      1.297660E+03           1.611510E-02
      6.436349E+02           3.279430E-02
      3.279519E+02           5.743090E-02
      1.709226E+02           7.761870E-02
      9.025014E+01           4.564640E-02
      4.629247E+01          -1.131171E-01
      2.484866E+01          -3.795596E-01
      1.334714E+01          -3.851494E-01
      6.948258E+00           1.236851E-01
      3.625075E+00           6.406138E-01
      1.882153E+00           4.707436E-01
Br    S
      1.657352E+08          -7.000000E-09
      2.477438E+07          -5.700000E-08
      5.628202E+06          -3.010000E-07
      1.591900E+06          -1.276000E-06
      5.182638E+05          -4.678000E-06
      1.864909E+05          -1.541600E-05
      7.233249E+04          -4.697500E-05
      2.976113E+04          -1.337210E-04
      1.285171E+04          -3.604850E-04
      5.780943E+03          -9.179760E-04
      2.695010E+03          -2.212900E-03
      1.297660E+03          -4.947300E-03
      6.436349E+02          -1.009510E-02
      3.279519E+02          -1.773240E-02
      1.709226E+02          -2.416530E-02
      9.025014E+01          -1.431800E-02
      4.629247E+01           3.628120E-02
      2.484866E+01           1.286552E-01
      1.334714E+01           1.356888E-01
      6.948258E+00          -5.167640E-02
      3.625075E+00          -3.030724E-01
      1.882153E+00          -4.073838E-01
Br    S
      9.108220E-01           1.000000E+00
Br    S
      4.639570E-01           1.000000E+00
Br    S
      2.169330E-01           1.000000E+00
Br    S
      9.840600E-02           1.000000E+00
Br    S
      0.0391060              1.0000000
Br    P
      3.939153E+04           3.120000E-05
      9.325222E+03           2.780000E-04
      3.028994E+03           1.613800E-03
      1.159514E+03           7.204900E-03
      4.926813E+02           2.608730E-02
      2.251745E+02           7.729710E-02
      1.085933E+02           1.804775E-01
      5.433608E+01           3.106126E-01
      2.793665E+01           3.454297E-01
      1.453963E+01           1.948515E-01
      7.421307E+00           4.038600E-02
      3.730389E+00           2.309100E-03
      1.854127E+00           6.715000E-04
Br    P
      3.939153E+04          -1.250000E-05
      9.325222E+03          -1.116000E-04
      3.028994E+03          -6.499000E-04
      1.159514E+03          -2.915900E-03
      4.926813E+02          -1.070090E-02
      2.251745E+02          -3.249510E-02
      1.085933E+02          -7.911230E-02
      5.433608E+01          -1.435252E-01
      2.793665E+01          -1.658248E-01
      1.453963E+01          -1.065910E-02
      7.421307E+00           3.050662E-01
      3.730389E+00           4.813563E-01
      1.854127E+00           2.942769E-01
Br    P
      3.939153E+04           3.200000E-06
      9.325222E+03           2.880000E-05
      3.028994E+03           1.684000E-04
      1.159514E+03           7.543000E-04
      4.926813E+02           2.780100E-03
      2.251745E+02           8.446200E-03
      1.085933E+02           2.073760E-02
      5.433608E+01           3.775420E-02
      2.793665E+01           4.420620E-02
      1.453963E+01          -2.177500E-03
      7.421307E+00          -9.795300E-02
      3.730389E+00          -1.692656E-01
      1.854127E+00          -1.117490E-01
Br    P
      8.453370E-01           1.000000E+00
Br    P
      3.921520E-01           1.000000E+00
Br    P
      1.727670E-01           1.000000E+00
Br    P
      7.290800E-02           1.000000E+00
Br    P
      0.0290520              1.0000000
Br    D
      1.850635E+03           5.380000E-05
      5.570712E+02           5.402000E-04
      2.164869E+02           3.301200E-03
      9.613885E+01           1.435510E-02
      4.612638E+01           4.611680E-02
      2.320116E+01           1.147873E-01
      1.205593E+01           2.145369E-01
      6.325545E+00           2.953131E-01
      3.304922E+00           3.040938E-01
Br    D
      1.704253E+00           1.000000E+00
Br    D
      8.399400E-01           1.000000E+00
Br    D
      3.569530E-01           1.000000E+00
Br    D
      1.520000E-01           1.000000E+00
Br    D
      0.0781000              1.0000000
Br    F
      9.627000E-01           1.000000E+00
Br    F
      4.955000E-01           1.000000E+00
Br    F
      2.550000E-01           1.000000E+00
Br    F
      0.1388000              1.0000000
Br    G
      9.768000E-01           1.000000E+00
Br    G
      4.390000E-01           1.000000E+00
Br    G
      0.2190000              1.0000000
Br    H
      8.193000E-01           1.0000000
Br    H
      0.4910000              1.0000000
end
basis "Kr_aug-cc-pV5Z" SPHERICAL 
#basis SET: (93s,44p,14d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Kr    S
      1.828221E+08           1.800000E-07
      2.735616E+07           1.420000E-06
      6.221170E+06           7.460000E-06
      1.760278E+06           3.159000E-05
      5.731938E+05           1.157500E-04
      2.062585E+05           3.815000E-04
      8.002667E+04           1.159000E-03
      3.293908E+04           3.293400E-03
      1.422263E+04           8.816100E-03
      6.393071E+03           2.221800E-02
      2.976454E+03           5.208810E-02
      1.430525E+03           1.106356E-01
      7.079262E+02           2.025326E-01
      3.598485E+02           2.926350E-01
      1.871497E+02           2.851224E-01
      9.863452E+01           1.455064E-01
      5.054787E+01           2.399390E-02
      2.716700E+01          -9.490000E-05
      1.461510E+01           5.578000E-04
      7.651352E+00          -2.870000E-04
      3.997263E+00           9.660000E-05
      2.085853E+00          -7.840000E-05
Kr    S
      1.828221E+08          -5.700000E-07
      2.735616E+07          -4.500000E-07
      6.221170E+06          -2.350000E-06
      1.760278E+06          -9.940000E-06
      5.731938E+05          -3.640000E-05
      2.062585E+05          -1.201000E-04
      8.002667E+04          -3.654000E-04
      3.293908E+04          -1.040700E-03
      1.422263E+04          -2.803800E-03
      6.393071E+03          -7.150900E-03
      2.976454E+03          -1.722040E-02
      1.430525E+03          -3.848000E-02
      7.079262E+02          -7.786280E-02
      3.598485E+02          -1.347423E-01
      1.871497E+02          -1.776148E-01
      9.863452E+01          -1.068413E-01
      5.054787E+01           1.896132E-01
      2.716700E+01           5.091871E-01
      1.461510E+01           3.939859E-01
      7.651352E+00           9.190320E-02
      3.997263E+00           3.919500E-03
      2.085853E+00           1.749600E-03
Kr    S
      1.828221E+08           2.000000E-08
      2.735616E+07           1.800000E-07
      6.221170E+06           9.400000E-07
      1.760278E+06           3.990000E-06
      5.731938E+05           1.462000E-05
      2.062585E+05           4.819000E-05
      8.002667E+04           1.467000E-04
      3.293908E+04           4.177000E-04
      1.422263E+04           1.126700E-03
      6.393071E+03           2.876900E-03
      2.976454E+03           6.954900E-03
      1.430525E+03           1.563650E-02
      7.079262E+02           3.208010E-02
      3.598485E+02           5.686890E-02
      1.871497E+02           7.848450E-02
      9.863452E+01           5.033980E-02
      5.054787E+01          -1.042742E-01
      2.716700E+01          -3.743761E-01
      1.461510E+01          -4.011131E-01
      7.651352E+00           9.683880E-02
      3.997263E+00           6.428776E-01
      2.085853E+00           4.860600E-01
Kr    S
      1.828221E+08          -6.000000E-09
      2.735616E+07          -5.700000E-08
      6.221170E+06          -3.000000E-07
      1.760278E+06          -1.270000E-06
      5.731938E+05          -4.658000E-06
      2.062585E+05          -1.534700E-05
      8.002667E+04          -4.673600E-05
      3.293908E+04          -1.330220E-04
      1.422263E+04          -3.590620E-04
      6.393071E+03          -9.165000E-04
      2.976454E+03          -2.218400E-03
      1.430525E+03          -4.988300E-03
      7.079262E+02          -1.026610E-02
      3.598485E+02          -1.824450E-02
      1.871497E+02          -2.541100E-02
      9.863452E+01          -1.639310E-02
      5.054787E+01           3.469770E-02
      2.716700E+01           1.321283E-01
      1.461510E+01           1.470925E-01
      7.651352E+00          -4.182160E-02
      3.997263E+00          -3.195240E-01
      2.085853E+00          -4.363286E-01
Kr    S
      1.014797E+00           1.000000E+00
Kr    S
      5.197880E-01           1.000000E+00
Kr    S
      2.451030E-01           1.000000E+00
Kr    S
      1.118960E-01           1.000000E+00
Kr    S
      0.0442770              1.0000000
Kr    P
      4.299306E+04           2.970000E-05
      1.017372E+04           2.651000E-04
      3.303106E+03           1.541600E-03
      1.263540E+03           6.906500E-03
      5.363655E+02           2.513970E-02
      2.448762E+02           7.501240E-02
      1.179912E+02           1.767433E-01
      5.902125E+01           3.075135E-01
      3.035607E+01           3.470644E-01
      1.581998E+01           2.002802E-01
      8.104580E+00           4.305080E-02
      4.097964E+00           2.477200E-03
      2.056061E+00           6.789000E-04
Kr    P
      4.299306E+04          -1.210000E-05
      1.017372E+04          -1.078000E-04
      3.303106E+03          -6.290000E-04
      1.263540E+03          -2.832300E-03
      5.363655E+02          -1.044620E-02
      2.448762E+02          -3.194000E-02
      1.179912E+02          -7.845990E-02
      5.902125E+01          -1.439719E-01
      3.035607E+01          -1.691703E-01
      1.581998E+01          -1.759660E-02
      8.104580E+00           3.002649E-01
      4.097964E+00           4.847661E-01
      2.056061E+00           2.967248E-01
Kr    P
      4.299306E+04           3.300000E-06
      1.017372E+04           2.930000E-05
      3.303106E+03           1.713000E-04
      1.263540E+03           7.695000E-04
      5.363655E+02           2.851400E-03
      2.448762E+02           8.720400E-03
      1.179912E+02           2.161810E-02
      5.902125E+01           3.980240E-02
      3.035607E+01           4.747750E-02
      1.581998E+01          -4.773000E-04
      8.104580E+00          -1.021891E-01
      4.097964E+00          -1.823611E-01
      2.056061E+00          -1.173363E-01
Kr    P
      9.521450E-01           1.000000E+00
Kr    P
      4.447740E-01           1.000000E+00
Kr    P
      1.974960E-01           1.000000E+00
Kr    P
      8.382300E-02           1.000000E+00
Kr    P
      0.0331290              1.0000000
Kr    D
      2.067436E+03           4.960000E-05
      6.256937E+02           4.944000E-04
      2.439468E+02           3.026500E-03
      1.084237E+02           1.334610E-02
      5.200522E+01           4.378690E-02
      2.611540E+01           1.114388E-01
      1.354675E+01           2.130341E-01
      7.105810E+00           2.979241E-01
      3.721554E+00           3.079660E-01
Kr    D
      1.929120E+00           1.000000E+00
Kr    D
      9.558260E-01           1.000000E+00
Kr    D
      4.051970E-01           1.000000E+00
Kr    D
      1.741000E-01           1.000000E+00
Kr    D
      0.1014000              1.0000000
Kr    F
      1.094000E+00           1.000000E+00
Kr    F
      5.870000E-01           1.000000E+00
Kr    F
      3.150000E-01           1.000000E+00
Kr    F
      0.1784000              1.0000000
Kr    G
      1.104000E+00           1.000000E+00
Kr    G
      5.010000E-01           1.000000E+00
Kr    G
      0.2550000              1.0000000
Kr    H
      9.303000E-01           1.0000000
Kr    H
      0.5800000              1.0000000
end
