# BSE Version v0.8.4+29.gb6d6a1b
# Data downloaded at 2019-06-24T14:04
# aug-cc-pv(q+d)z version number 1
# Description: aug-cc-pV(Q+d)Z
# Role: orbital
# 
# ********************************************************************************
# If you downloaded data from the basis set
# exchange or used the basis set exchange python library, please cite:
# ********************************************************************************
#     Pritchard, Benjamin P., Altarawy, Doaa, Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     Manuscript in preparation
# 
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem., 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model., 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# ********************************************************************************
# References for the basis set
# ********************************************************************************
# H,B-Ne
#     ## The cc-pVQZ basis set
#     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
# 
#     ## Augmenting functions for cc-pVQZ
#     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
# 
# He
#     ## The cc-pVQZ basis set
#     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
# 
#     ## Augmenting functions for cc-pVQZ
#     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
# 
# Li,Be
#     ## Common functions for cc-pVQZ and similar
#     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
# 
#     ## Augmenting functions for cc-pVQZ
#     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
# 
# Na,Mg
#     ## Common functions for cc-pVQZ and similar
#     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
# 
#     ## Additional functions to form cc-pVQ+dZ
#     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
# 
#     ## Augmenting functions for cc-pVQ+dZ
#     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
# 
# Al-Ar
#     ## Common functions for cc-pVQZ and similar
#     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
# 
#     ## Additional functions to form cc-pVQ+dZ
#     Dunning, Thom H., Peterson, Kirk A., Wilson, Angela K.
#     Gaussian basis sets for use in correlated molecular calculations. X.
#             The atoms aluminum through argon revisited
#     J. Chem. Phys., 114, 9244-9253 (2001)
#     10.1063/1.1367373
# 
#     ## Augmenting functions for cc-pVQ+dZ
#     Dunning, Thom H., Peterson, Kirk A., Wilson, Angela K.
#     Gaussian basis sets for use in correlated molecular calculations. X.
#             The atoms aluminum through argon revisited
#     J. Chem. Phys., 114, 9244-9253 (2001)
#     10.1063/1.1367373
# 
# Sc-Zn
#     ## The cc-pVQZ basis set
#     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
# 
#     ## Augmenting functions for cc-pVQZ
#     Balabanov, Nikolai B., Peterson, Kirk A.
#     Systematically convergent basis sets for transition metals. I. All-
#             electron correlation consistent basis sets for the 3d elements
#             Sc-Zn
#     J. Chem. Phys., 123, 064107 (2005)
#     10.1063/1.1998907
# 
# Ga-Kr
#     ## The cc-pVQZ basis set
#     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
# 
#     ## Augmenting functions for cc-pVQZ
#     Wilson, Angela K., Woon, David E., Peterson, Kirk A., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IX.
#             The atoms gallium through krypton
#     J. Chem. Phys., 110, 7667-7676 (1999)
#     10.1063/1.478678
# 
# # 
basis "H_aug-cc-pv(q+d)z" 
#basis SET: (7s,4p,3d,2f) -> [5s,4p,3d,2f]
H    S
      8.264000E+01           2.006000E-03
      1.241000E+01           1.534300E-02
      2.824000E+00           7.557900E-02
H    S
      7.977000E-01           1.000000E+00
H    S
      2.581000E-01           1.000000E+00
H    S
      8.989000E-02           1.000000E+00
H    S
      0.0236300              1.0000000
H    P
      2.292000E+00           1.000000E+00
H    P
      8.380000E-01           1.000000E+00
H    P
      2.920000E-01           1.000000E+00
H    P
      0.0848000              1.0000000
H    D
      2.062000E+00           1.000000E+00
H    D
      6.620000E-01           1.000000E+00
H    D
      0.1900000              1.0000000
H    F
      1.397000E+00           1.0000000
H    F
      0.3600000              1.0000000
end
basis "He_aug-cc-pv(q+d)z" 
#basis SET: (8s,4p,3d,2f) -> [5s,4p,3d,2f]
He    S
      5.285000E+02           9.400000E-04
      7.931000E+01           7.214000E-03
      1.805000E+01           3.597500E-02
      5.085000E+00           1.277820E-01
He    S
      1.609000E+00           1.000000E+00
He    S
      5.363000E-01           1.000000E+00
He    S
      1.833000E-01           1.000000E+00
He    S
      0.0481900              1.0000000
He    P
      5.994000E+00           1.000000E+00
He    P
      1.745000E+00           1.000000E+00
He    P
      5.600000E-01           1.000000E+00
He    P
      0.1626000              1.0000000
He    D
      4.299000E+00           1.000000E+00
He    D
      1.223000E+00           1.000000E+00
He    D
      0.3510000              1.0000000
He    F
      2.680000E+00           1.0000000
He    F
      0.6906000              1.0000000
end
basis "Li_aug-cc-pv(q+d)z" 
#basis SET: (22s,7p,4d,3f,2g) -> [6s,5p,4d,3f,2g]
Li    S
      6.601000E+03           1.170000E-04
      9.897000E+02           9.110000E-04
      2.257000E+02           4.728000E-03
      6.429000E+01           1.919700E-02
      2.118000E+01           6.304700E-02
      7.724000E+00           1.632080E-01
      3.003000E+00           3.148270E-01
      1.212000E+00           3.939360E-01
      4.930000E-01           1.969180E-01
Li    S
      6.601000E+03          -1.800000E-05
      9.897000E+02          -1.420000E-04
      2.257000E+02          -7.410000E-04
      6.429000E+01          -3.020000E-03
      2.118000E+01          -1.012300E-02
      7.724000E+00          -2.709400E-02
      3.003000E+00          -5.735900E-02
      1.212000E+00          -9.389500E-02
      4.930000E-01          -1.210910E-01
Li    S
      9.515000E-02           1.000000E+00
Li    S
      4.791000E-02           1.000000E+00
Li    S
      2.220000E-02           1.000000E+00
Li    S
      6.400000E-03           1.000000E+00
Li    P
      6.250000E+00           3.388000E-03
      1.370000E+00           1.931600E-02
      3.672000E-01           7.910400E-02
Li    P
      1.192000E-01           1.000000E+00
Li    P
      4.474000E-02           1.000000E+00
Li    P
      1.795000E-02           1.000000E+00
Li    P
      7.500000E-03           1.000000E+00
Li    D
      3.352000E-01           1.000000E+00
Li    D
      1.482000E-01           1.000000E+00
Li    D
      6.560000E-02           1.000000E+00
Li    D
      2.720000E-02           1.000000E+00
Li    F
      2.280000E-01           1.000000E+00
Li    F
      1.135000E-01           1.000000E+00
Li    F
      5.040000E-02           1.000000E+00
Li    G
      2.319000E-01           1.0000000
Li    G
      1.041000E-01           1.000000E+00
end
basis "Be_aug-cc-pv(q+d)z" 
#basis SET: (22s,7p,4d,3f,2g) -> [6s,5p,4d,3f,2g]
Be    S
      1.463000E+04           9.200000E-05
      2.191000E+03           7.130000E-04
      4.982000E+02           3.735000E-03
      1.409000E+02           1.546800E-02
      4.586000E+01           5.287400E-02
      1.647000E+01           1.456940E-01
      6.319000E+00           3.026810E-01
      2.535000E+00           4.049360E-01
      1.035000E+00           2.223870E-01
Be    S
      1.463000E+04          -1.700000E-05
      2.191000E+03          -1.300000E-04
      4.982000E+02          -6.790000E-04
      1.409000E+02          -2.857000E-03
      4.586000E+01          -9.813000E-03
      1.647000E+01          -2.860900E-02
      6.319000E+00          -6.376000E-02
      2.535000E+00          -1.172310E-01
      1.035000E+00          -1.212020E-01
Be    S
      2.528000E-01           1.000000E+00
Be    S
      1.052000E-01           1.000000E+00
Be    S
      4.261000E-02           1.000000E+00
Be    S
      1.410000E-02           1.000000E+00
Be    P
      1.403000E+01           4.099000E-03
      3.168000E+00           2.562600E-02
      9.024000E-01           1.037680E-01
Be    P
      3.036000E-01           1.000000E+00
Be    P
      1.130000E-01           1.000000E+00
Be    P
      4.286000E-02           1.000000E+00
Be    P
      8.400000E-03           1.000000E+00
Be    D
      1.128800E+00           1.000000E+00
Be    D
      4.569000E-01           1.000000E+00
Be    D
      1.850000E-01           1.000000E+00
Be    D
      5.560000E-02           1.000000E+00
Be    F
      4.768000E-01           1.000000E+00
Be    F
      2.521000E-01           1.000000E+00
Be    F
      9.050000E-02           1.000000E+00
Be    G
      4.131000E-01           1.0000000
Be    G
      1.654000E-01           1.000000E+00
end
basis "B_aug-cc-pv(q+d)z" 
#basis SET: (22s,7p,4d,3f,2g) -> [6s,5p,4d,3f,2g]
B    S
      2.387000E+04           8.800000E-05
      3.575000E+03           6.870000E-04
      8.128000E+02           3.600000E-03
      2.297000E+02           1.494900E-02
      7.469000E+01           5.143500E-02
      2.681000E+01           1.433020E-01
      1.032000E+01           3.009350E-01
      4.178000E+00           4.035260E-01
      1.727000E+00           2.253400E-01
B    S
      2.387000E+04          -1.800000E-05
      3.575000E+03          -1.390000E-04
      8.128000E+02          -7.250000E-04
      2.297000E+02          -3.063000E-03
      7.469000E+01          -1.058100E-02
      2.681000E+01          -3.136500E-02
      1.032000E+01          -7.101200E-02
      4.178000E+00          -1.321030E-01
      1.727000E+00          -1.230720E-01
B    S
      4.704000E-01           1.000000E+00
B    S
      1.896000E-01           1.000000E+00
B    S
      7.394000E-02           1.000000E+00
B    S
      0.0272100              1.0000000
B    P
      2.226000E+01           5.095000E-03
      5.058000E+00           3.320600E-02
      1.487000E+00           1.323140E-01
B    P
      5.071000E-01           1.000000E+00
B    P
      1.812000E-01           1.000000E+00
B    P
      6.463000E-02           1.000000E+00
B    P
      0.0187800              1.0000000
B    D
      1.110000E+00           1.000000E+00
B    D
      4.020000E-01           1.000000E+00
B    D
      1.450000E-01           1.000000E+00
B    D
      0.0466000              1.0000000
B    F
      8.820000E-01           1.000000E+00
B    F
      3.110000E-01           1.000000E+00
B    F
      0.1130000              1.0000000
B    G
      6.730000E-01           1.0000000
B    G
      0.2730000              1.0000000
end
basis "C_aug-cc-pv(q+d)z" 
#basis SET: (22s,7p,4d,3f,2g) -> [6s,5p,4d,3f,2g]
C    S
      3.398000E+04           9.100000E-05
      5.089000E+03           7.040000E-04
      1.157000E+03           3.693000E-03
      3.266000E+02           1.536000E-02
      1.061000E+02           5.292900E-02
      3.811000E+01           1.470430E-01
      1.475000E+01           3.056310E-01
      6.035000E+00           3.993450E-01
      2.530000E+00           2.170510E-01
C    S
      3.398000E+04          -1.900000E-05
      5.089000E+03          -1.510000E-04
      1.157000E+03          -7.850000E-04
      3.266000E+02          -3.324000E-03
      1.061000E+02          -1.151200E-02
      3.811000E+01          -3.416000E-02
      1.475000E+01          -7.717300E-02
      6.035000E+00          -1.414930E-01
      2.530000E+00          -1.180190E-01
C    S
      7.355000E-01           1.000000E+00
C    S
      2.905000E-01           1.000000E+00
C    S
      1.111000E-01           1.000000E+00
C    S
      0.0414500              1.0000000
C    P
      3.451000E+01           5.378000E-03
      7.915000E+00           3.613200E-02
      2.368000E+00           1.424930E-01
C    P
      8.132000E-01           1.000000E+00
C    P
      2.890000E-01           1.000000E+00
C    P
      1.007000E-01           1.000000E+00
C    P
      0.0321800              1.0000000
C    D
      1.848000E+00           1.000000E+00
C    D
      6.490000E-01           1.000000E+00
C    D
      2.280000E-01           1.000000E+00
C    D
      0.0766000              1.0000000
C    F
      1.419000E+00           1.000000E+00
C    F
      4.850000E-01           1.000000E+00
C    F
      0.1870000              1.0000000
C    G
      1.011000E+00           1.0000000
C    G
      0.4240000              1.0000000
end
basis "N_aug-cc-pv(q+d)z" 
#basis SET: (22s,7p,4d,3f,2g) -> [6s,5p,4d,3f,2g]
N    S
      4.584000E+04           9.200000E-05
      6.868000E+03           7.170000E-04
      1.563000E+03           3.749000E-03
      4.424000E+02           1.553200E-02
      1.443000E+02           5.314600E-02
      5.218000E+01           1.467870E-01
      2.034000E+01           3.046630E-01
      8.381000E+00           3.976840E-01
      3.529000E+00           2.176410E-01
N    S
      4.584000E+04          -2.000000E-05
      6.868000E+03          -1.590000E-04
      1.563000E+03          -8.240000E-04
      4.424000E+02          -3.478000E-03
      1.443000E+02          -1.196600E-02
      5.218000E+01          -3.538800E-02
      2.034000E+01          -8.007700E-02
      8.381000E+00          -1.467220E-01
      3.529000E+00          -1.163600E-01
N    S
      1.054000E+00           1.000000E+00
N    S
      4.118000E-01           1.000000E+00
N    S
      1.552000E-01           1.000000E+00
N    S
      0.0546400              1.0000000
N    P
      4.933000E+01           5.533000E-03
      1.137000E+01           3.796200E-02
      3.435000E+00           1.490280E-01
N    P
      1.182000E+00           1.000000E+00
N    P
      4.173000E-01           1.000000E+00
N    P
      1.428000E-01           1.000000E+00
N    P
      0.0440200              1.0000000
N    D
      2.837000E+00           1.000000E+00
N    D
      9.680000E-01           1.000000E+00
N    D
      3.350000E-01           1.000000E+00
N    D
      0.1110000              1.0000000
N    F
      2.027000E+00           1.000000E+00
N    F
      6.850000E-01           1.000000E+00
N    F
      0.2450000              1.0000000
N    G
      1.427000E+00           1.0000000
N    G
      0.5590000              1.0000000
end
basis "O_aug-cc-pv(q+d)z" 
#basis SET: (22s,7p,4d,3f,2g) -> [6s,5p,4d,3f,2g]
O    S
      6.142000E+04           9.000000E-05
      9.199000E+03           6.980000E-04
      2.091000E+03           3.664000E-03
      5.909000E+02           1.521800E-02
      1.923000E+02           5.242300E-02
      6.932000E+01           1.459210E-01
      2.697000E+01           3.052580E-01
      1.110000E+01           3.985080E-01
      4.682000E+00           2.169800E-01
O    S
      6.142000E+04          -2.000000E-05
      9.199000E+03          -1.590000E-04
      2.091000E+03          -8.290000E-04
      5.909000E+02          -3.508000E-03
      1.923000E+02          -1.215600E-02
      6.932000E+01          -3.626100E-02
      2.697000E+01          -8.299200E-02
      1.110000E+01          -1.520900E-01
      4.682000E+00          -1.153310E-01
O    S
      1.428000E+00           1.000000E+00
O    S
      5.547000E-01           1.000000E+00
O    S
      2.067000E-01           1.000000E+00
O    S
      0.0695900              1.0000000
O    P
      6.342000E+01           6.044000E-03
      1.466000E+01           4.179900E-02
      4.459000E+00           1.611430E-01
O    P
      1.531000E+00           1.000000E+00
O    P
      5.302000E-01           1.000000E+00
O    P
      1.750000E-01           1.000000E+00
O    P
      0.0534800              1.0000000
O    D
      3.775000E+00           1.000000E+00
O    D
      1.300000E+00           1.000000E+00
O    D
      4.440000E-01           1.000000E+00
O    D
      0.1540000              1.0000000
O    F
      2.666000E+00           1.000000E+00
O    F
      8.590000E-01           1.000000E+00
O    F
      0.3240000              1.0000000
O    G
      1.846000E+00           1.0000000
O    G
      0.7140000              1.0000000
end
basis "F_aug-cc-pv(q+d)z" 
#basis SET: (22s,7p,4d,3f,2g) -> [6s,5p,4d,3f,2g]
F    S
      7.453000E+04           9.500000E-05
      1.117000E+04           7.380000E-04
      2.543000E+03           3.858000E-03
      7.210000E+02           1.592600E-02
      2.359000E+02           5.428900E-02
      8.560000E+01           1.495130E-01
      3.355000E+01           3.082520E-01
      1.393000E+01           3.948530E-01
      5.915000E+00           2.110310E-01
F    S
      7.453000E+04          -2.200000E-05
      1.117000E+04          -1.720000E-04
      2.543000E+03          -8.910000E-04
      7.210000E+02          -3.748000E-03
      2.359000E+02          -1.286200E-02
      8.560000E+01          -3.806100E-02
      3.355000E+01          -8.623900E-02
      1.393000E+01          -1.558650E-01
      5.915000E+00          -1.109140E-01
F    S
      1.843000E+00           1.000000E+00
F    S
      7.124000E-01           1.000000E+00
F    S
      2.637000E-01           1.000000E+00
F    S
      0.0859400              1.0000000
F    P
      8.039000E+01           6.347000E-03
      1.863000E+01           4.420400E-02
      5.694000E+00           1.685140E-01
F    P
      1.953000E+00           1.000000E+00
F    P
      6.702000E-01           1.000000E+00
F    P
      2.166000E-01           1.000000E+00
F    P
      0.0656800              1.0000000
F    D
      5.014000E+00           1.000000E+00
F    D
      1.725000E+00           1.000000E+00
F    D
      5.860000E-01           1.000000E+00
F    D
      0.2070000              1.0000000
F    F
      3.562000E+00           1.000000E+00
F    F
      1.148000E+00           1.000000E+00
F    F
      0.4600000              1.0000000
F    G
      2.376000E+00           1.0000000
F    G
      0.9240000              1.0000000
end
basis "Ne_aug-cc-pv(q+d)z" 
#basis SET: (22s,7p,4d,3f,2g) -> [6s,5p,4d,3f,2g]
Ne    S
      9.992000E+04           8.600000E-05
      1.496000E+04           6.690000E-04
      3.399000E+03           3.518000E-03
      9.589000E+02           1.466700E-02
      3.112000E+02           5.096200E-02
      1.117000E+02           1.437440E-01
      4.332000E+01           3.045620E-01
      1.780000E+01           4.001050E-01
      7.503000E+00           2.186440E-01
Ne    S
      9.992000E+04          -2.000000E-05
      1.496000E+04          -1.580000E-04
      3.399000E+03          -8.240000E-04
      9.589000E+02          -3.500000E-03
      3.112000E+02          -1.223300E-02
      1.117000E+02          -3.701700E-02
      4.332000E+01          -8.611300E-02
      1.780000E+01          -1.583810E-01
      7.503000E+00          -1.142880E-01
Ne    S
      2.337000E+00           1.000000E+00
Ne    S
      9.001000E-01           1.000000E+00
Ne    S
      3.301000E-01           1.000000E+00
Ne    S
      0.1054000              1.0000000
Ne    P
      9.968000E+01           6.566000E-03
      2.315000E+01           4.597900E-02
      7.108000E+00           1.734190E-01
Ne    P
      2.441000E+00           1.000000E+00
Ne    P
      8.339000E-01           1.000000E+00
Ne    P
      2.662000E-01           1.000000E+00
Ne    P
      0.0817800              1.0000000
Ne    D
      6.471000E+00           1.000000E+00
Ne    D
      2.213000E+00           1.000000E+00
Ne    D
      7.470000E-01           1.000000E+00
Ne    D
      0.2730000              1.0000000
Ne    F
      4.657000E+00           1.000000E+00
Ne    F
      1.524000E+00           1.000000E+00
Ne    F
      0.6890000              1.0000000
Ne    G
      2.983000E+00           1.0000000
Ne    G
      1.2240000              1.0000000
end
basis "Na_aug-cc-pv(q+d)z" 
#basis SET: (52s,22p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
Na    S
      1.224000E+06           4.788940E-06
      1.832000E+05           3.723950E-05
      4.170000E+04           1.958310E-04
      1.181000E+04           8.266980E-04
      3.853000E+03           3.002510E-03
      1.391000E+03           9.703100E-03
      5.425000E+02           2.823370E-02
      2.249000E+02           7.320580E-02
      9.793000E+01           1.628970E-01
      4.431000E+01           2.887080E-01
      2.065000E+01           3.468290E-01
      9.729000E+00           2.068650E-01
      4.228000E+00           3.280090E-02
      1.969000E+00          -6.477360E-04
      8.890000E-01           1.458780E-03
      3.964000E-01          -1.783460E-04
Na    S
      1.224000E+06          -1.169580E-06
      1.832000E+05          -9.091100E-06
      4.170000E+04          -4.784990E-05
      1.181000E+04          -2.019620E-04
      3.853000E+03          -7.358370E-04
      1.391000E+03          -2.387460E-03
      5.425000E+02          -7.049690E-03
      2.249000E+02          -1.878560E-02
      9.793000E+01          -4.461530E-02
      4.431000E+01          -8.977410E-02
      2.065000E+01          -1.429400E-01
      9.729000E+00          -1.243150E-01
      4.228000E+00           9.996480E-02
      1.969000E+00           4.170800E-01
      8.890000E-01           4.751230E-01
      3.964000E-01           1.632680E-01
Na    S
      1.224000E+06           1.758710E-07
      1.832000E+05           1.365940E-06
      4.170000E+04           7.197950E-06
      1.181000E+04           3.033490E-05
      3.853000E+03           1.107520E-04
      1.391000E+03           3.585960E-04
      5.425000E+02           1.062720E-03
      2.249000E+02           2.826870E-03
      9.793000E+01           6.767420E-03
      4.431000E+01           1.364800E-02
      2.065000E+01           2.228140E-02
      9.729000E+00           1.960110E-02
      4.228000E+00          -1.677080E-02
      1.969000E+00          -7.737340E-02
      8.890000E-01          -1.135010E-01
      3.964000E-01          -1.391300E-01
Na    S
      6.993000E-02           1.000000E+00
Na    S
      3.289000E-02           1.000000E+00
Na    S
      1.612000E-02           1.000000E+00
Na    S
      5.000000E-03           1.000000E+00
Na    P
      4.134000E+02           9.081960E-04
      9.798000E+01           7.417730E-03
      3.137000E+01           3.574640E-02
      1.162000E+01           1.185200E-01
      4.671000E+00           2.614030E-01
      1.918000E+00           3.783950E-01
      7.775000E-01           3.346320E-01
      3.013000E-01           1.268440E-01
      2.275000E-01          -1.471170E-02
Na    P
      4.134000E+02          -9.017410E-05
      9.798000E+01          -7.393420E-04
      3.137000E+01          -3.573090E-03
      1.162000E+01          -1.201420E-02
      4.671000E+00          -2.671780E-02
      1.918000E+00          -3.927530E-02
      7.775000E-01          -3.760830E-02
      3.013000E-01          -4.332280E-02
      2.275000E-01           5.180030E-02
Na    P
      7.527000E-02           1.000000E+00
Na    P
      3.126000E-02           1.000000E+00
Na    P
      1.342000E-02           1.000000E+00
Na    P
      7.200000E-03           1.000000E+00
Na    D
      1.307300E+00           1.000000E+00
Na    D
      3.305000E-01           1.000000E+00
Na    D
      1.409000E-01           1.000000E+00
Na    D
      6.000000E-02           1.000000E+00
Na    D
      2.2400000E-02          1.000000E+00
Na    F
      2.006000E-01           1.000000E+00
Na    F
      1.009000E-01           1.000000E+00
Na    F
      4.470000E-02           1.000000E+00
Na    G
      1.776000E-01           1.0000000
Na    G
      8.720000E-02           1.000000E+00
end
basis "Mg_aug-cc-pv(q+d)z" 
#basis SET: (43s,22p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
Mg    S
      3.276000E+05           3.096080E-05
      4.905000E+04           2.409540E-04
      1.115000E+04           1.266600E-03
      3.152000E+03           5.333590E-03
      1.025000E+03           1.907700E-02
      3.688000E+02           5.880580E-02
      1.432000E+02           1.514540E-01
      5.896000E+01           3.007160E-01
      2.540000E+01           3.811490E-01
      1.115000E+01           2.135840E-01
      4.004000E+00           2.312100E-02
      1.701000E+00          -2.307570E-03
      7.060000E-01           1.289000E-03
Mg    S
      3.276000E+05          -7.831730E-06
      4.905000E+04          -6.079350E-05
      1.115000E+04          -3.211970E-04
      3.152000E+03          -1.349550E-03
      1.025000E+03          -4.905700E-03
      3.688000E+02          -1.535610E-02
      1.432000E+02          -4.234090E-02
      5.896000E+01          -9.406030E-02
      2.540000E+01          -1.634250E-01
      1.115000E+01          -1.247540E-01
      4.004000E+00           2.356230E-01
      1.701000E+00           5.775630E-01
      7.060000E-01           3.352320E-01
Mg    S
      3.276000E+05           1.509080E-06
      4.905000E+04           1.171340E-05
      1.115000E+04           6.189800E-05
      3.152000E+03           2.600880E-04
      1.025000E+03           9.462180E-04
      3.688000E+02           2.965950E-03
      1.432000E+02           8.212450E-03
      5.896000E+01           1.839770E-02
      2.540000E+01           3.266570E-02
      1.115000E+01           2.573150E-02
      4.004000E+00          -5.353510E-02
      1.701000E+00          -1.568950E-01
      7.060000E-01          -2.066590E-01
Mg    S
      1.410000E-01           1.000000E+00
Mg    S
      6.808000E-02           1.000000E+00
Mg    S
      3.063000E-02           1.000000E+00
Mg    S
      1.090000E-02           1.000000E+00
Mg    P
      5.396000E+02           8.339690E-04
      1.279000E+02           6.892150E-03
      4.102000E+01           3.378740E-02
      1.525000E+01           1.144010E-01
      6.166000E+00           2.595140E-01
      2.561000E+00           3.850950E-01
      1.060000E+00           3.353730E-01
      4.176000E-01           1.106410E-01
      2.690000E-01          -1.213150E-02
Mg    P
      5.396000E+02          -1.320760E-04
      1.279000E+02          -1.095380E-03
      4.102000E+01          -5.394950E-03
      1.525000E+01          -1.855720E-02
      6.166000E+00          -4.273750E-02
      2.561000E+00          -6.476840E-02
      1.060000E+00          -6.278180E-02
      4.176000E-01          -2.449120E-02
      2.690000E-01           1.047610E-01
Mg    P
      1.223000E-01           1.000000E+00
Mg    P
      5.476000E-02           1.000000E+00
Mg    P
      2.388000E-02           1.000000E+00
Mg    P
      8.100000E-03           1.000000E+00
Mg    D
      1.995000E+00           1.000000E+00
Mg    D
      4.729000E-01           1.000000E+00
Mg    D
      2.028000E-01           1.000000E+00
Mg    D
      8.280000E-02           1.000000E+00
Mg    D
      2.960000E-02           1.000000E+00
Mg    F
      3.622000E-01           1.000000E+00
Mg    F
      1.791000E-01           1.000000E+00
Mg    F
      6.580000E-02           1.000000E+00
Mg    G
      3.063000E-01           1.0000000
Mg    G
      1.252000E-01           1.000000E+00
end
basis "Al_aug-cc-pv(q+d)z" 
#basis SET: (43s,20p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
Al    S
      4.196000E+05           2.782190E-05
      6.283000E+04           2.163300E-04
      1.429000E+04           1.137540E-03
      4.038000E+03           4.796350E-03
      1.312000E+03           1.723890E-02
      4.705000E+02           5.380660E-02
      1.818000E+02           1.413260E-01
      7.446000E+01           2.892680E-01
      3.190000E+01           3.848250E-01
      1.396000E+01           2.328520E-01
      5.180000E+00           2.933300E-02
      2.265000E+00          -3.005740E-03
      9.664000E-01           1.666730E-03
Al    S
      4.196000E+05          -7.237540E-06
      6.283000E+04          -5.617330E-05
      1.429000E+04          -2.965280E-04
      4.038000E+03          -1.249130E-03
      1.312000E+03          -4.551010E-03
      4.705000E+02          -1.443930E-02
      1.818000E+02          -4.034640E-02
      7.446000E+01          -9.226180E-02
      3.190000E+01          -1.645100E-01
      1.396000E+01          -1.412960E-01
      5.180000E+00           1.953650E-01
      2.265000E+00           5.724750E-01
      9.664000E-01           3.740410E-01
Al    S
      4.196000E+05           1.671500E-06
      6.283000E+04           1.296410E-05
      1.429000E+04           6.851010E-05
      4.038000E+03           2.882740E-04
      1.312000E+03           1.052760E-03
      4.705000E+02           3.338780E-03
      1.818000E+02           9.392170E-03
      7.446000E+01           2.160470E-02
      3.190000E+01           3.958730E-02
      1.396000E+01           3.491800E-02
      5.180000E+00          -5.284150E-02
      2.265000E+00          -1.918780E-01
      9.664000E-01          -2.541150E-01
Al    S
      2.447000E-01           1.000000E+00
Al    S
      1.184000E-01           1.000000E+00
Al    S
      5.021000E-02           1.000000E+00
Al    S
      0.0183000              1.0000000
Al    P
      8.913000E+02           4.917550E-04
      2.113000E+02           4.158430E-03
      6.828000E+01           2.125380E-02
      2.570000E+01           7.640580E-02
      1.063000E+01           1.942770E-01
      4.602000E+00           3.344280E-01
      2.015000E+00           3.750260E-01
      8.706000E-01           2.040410E-01
Al    P
      8.913000E+02          -8.886950E-05
      2.113000E+02          -7.458230E-04
      6.828000E+01          -3.870250E-03
      2.570000E+01          -1.393500E-02
      1.063000E+01          -3.668600E-02
      4.602000E+00          -6.277970E-02
      2.015000E+00          -7.896020E-02
      8.706000E-01          -2.885890E-02
Al    P
      2.972000E-01           1.000000E+00
Al    P
      1.100000E-01           1.000000E+00
Al    P
      3.989000E-02           1.000000E+00
Al    P
      0.0121000              1.0000000
Al    D
      1.970000E+00           1.000000E+00
Al    D
      4.370000E-01           1.000000E+00
Al    D
      1.950000E-01           1.000000E+00
Al    D
      8.000000E-02           1.000000E+00
Al    D
      2.740000E-02           1.000000E+00
Al    F
      4.010000E-01           1.000000E+00
Al    F
      1.540000E-01           1.000000E+00
Al    F
      0.0582000              1.0000000
Al    G
      3.570000E-01           1.0000000
Al    G
      0.1530000              1.0000000
end
basis "Si_aug-cc-pv(q+d)z" 
#basis SET: (43s,20p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
Si    S
      5.130000E+05           2.609200E-05
      7.682000E+04           2.029050E-04
      1.747000E+04           1.067150E-03
      4.935000E+03           4.505970E-03
      1.602000E+03           1.623590E-02
      5.741000E+02           5.089130E-02
      2.215000E+02           1.351550E-01
      9.054000E+01           2.812920E-01
      3.874000E+01           3.853360E-01
      1.695000E+01           2.456510E-01
      6.452000E+00           3.431450E-02
      2.874000E+00          -3.348840E-03
      1.250000E+00           1.876250E-03
Si    S
      5.130000E+05          -6.948800E-06
      7.682000E+04          -5.396410E-05
      1.747000E+04          -2.847160E-04
      4.935000E+03          -1.202030E-03
      1.602000E+03          -4.383970E-03
      5.741000E+02          -1.397760E-02
      2.215000E+02          -3.935160E-02
      9.054000E+01          -9.142830E-02
      3.874000E+01          -1.656090E-01
      1.695000E+01          -1.525050E-01
      6.452000E+00           1.685240E-01
      2.874000E+00           5.692840E-01
      1.250000E+00           3.980560E-01
Si    S
      5.130000E+05           1.780680E-06
      7.682000E+04           1.381480E-05
      1.747000E+04           7.300050E-05
      4.935000E+03           3.076660E-04
      1.602000E+03           1.125630E-03
      5.741000E+02           3.584350E-03
      2.215000E+02           1.017280E-02
      9.054000E+01           2.375200E-02
      3.874000E+01           4.434830E-02
      1.695000E+01           4.190410E-02
      6.452000E+00          -5.025040E-02
      2.874000E+00          -2.165780E-01
      1.250000E+00          -2.864480E-01
Si    S
      3.599000E-01           1.000000E+00
Si    S
      1.699000E-01           1.000000E+00
Si    S
      7.066000E-02           1.000000E+00
Si    S
      0.0275000              1.0000000
Si    P
      1.122000E+03           4.481430E-04
      2.660000E+02           3.816390E-03
      8.592000E+01           1.981050E-02
      3.233000E+01           7.270170E-02
      1.337000E+01           1.898390E-01
      5.800000E+00           3.356720E-01
      2.559000E+00           3.793650E-01
      1.124000E+00           2.011930E-01
Si    P
      1.122000E+03          -9.648830E-05
      2.660000E+02          -8.119710E-04
      8.592000E+01          -4.300870E-03
      3.233000E+01          -1.575020E-02
      1.337000E+01          -4.295410E-02
      5.800000E+00          -7.525740E-02
      2.559000E+00          -9.714460E-02
      1.124000E+00          -2.275070E-02
Si    P
      3.988000E-01           1.000000E+00
Si    P
      1.533000E-01           1.000000E+00
Si    P
      5.728000E-02           1.000000E+00
Si    P
      0.0200000              1.0000000
Si    D
      2.645000E+00           1.000000E+00
Si    D
      6.080000E-01           1.000000E+00
Si    D
      2.720000E-01           1.000000E+00
Si    D
      1.130000E-01           1.000000E+00
Si    D
      4.140000E-02           1.000000E+00
Si    F
      5.410000E-01           1.000000E+00
Si    F
      2.120000E-01           1.000000E+00
Si    F
      0.0846000              1.0000000
Si    G
      4.610000E-01           1.0000000
Si    G
      0.2120000              1.0000000
end
basis "P_aug-cc-pv(q+d)z" 
#basis SET: (43s,20p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
P    S
      6.152000E+05           2.474500E-05
      9.212000E+04           1.924650E-04
      2.095000E+04           1.012020E-03
      5.920000E+03           4.272610E-03
      1.922000E+03           1.541610E-02
      6.880000E+02           4.859760E-02
      2.650000E+02           1.300600E-01
      1.082000E+02           2.745140E-01
      4.622000E+01           3.854020E-01
      2.023000E+01           2.559340E-01
      7.859000E+00           3.912370E-02
      3.547000E+00          -3.680100E-03
      1.564000E+00           2.082110E-03
P    S
      6.152000E+05          -6.722050E-06
      9.212000E+04          -5.223110E-05
      2.095000E+04          -2.753610E-04
      5.920000E+03          -1.163070E-03
      1.922000E+03          -4.242810E-03
      6.880000E+02          -1.361140E-02
      2.650000E+02          -3.851140E-02
      1.082000E+02          -9.066430E-02
      4.622000E+01          -1.665840E-01
      2.023000E+01          -1.614470E-01
      7.859000E+00           1.467810E-01
      3.547000E+00           5.666820E-01
      1.564000E+00           4.164330E-01
P    S
      6.152000E+05           1.847400E-06
      9.212000E+04           1.433800E-05
      2.095000E+04           7.572280E-05
      5.920000E+03           3.192050E-04
      1.922000E+03           1.168510E-03
      6.880000E+02           3.742670E-03
      2.650000E+02           1.068170E-02
      1.082000E+02           2.526570E-02
      4.622000E+01           4.792830E-02
      2.023000E+01           4.770960E-02
      7.859000E+00          -4.665250E-02
      3.547000E+00          -2.349680E-01
      1.564000E+00          -3.113370E-01
P    S
      4.888000E-01           1.000000E+00
P    S
      2.266000E-01           1.000000E+00
P    S
      9.331000E-02           1.000000E+00
P    S
      0.0354000              1.0000000
P    P
      1.367000E+03           4.210150E-04
      3.240000E+02           3.609850E-03
      1.046000E+02           1.892170E-02
      3.937000E+01           7.055600E-02
      1.626000E+01           1.881570E-01
      7.056000E+00           3.387090E-01
      3.130000E+00           3.819430E-01
      1.394000E+00           1.952610E-01
P    P
      1.367000E+03          -1.008270E-04
      3.240000E+02          -8.544990E-04
      1.046000E+02          -4.571160E-03
      3.937000E+01          -1.703270E-02
      1.626000E+01          -4.752040E-02
      7.056000E+00          -8.527860E-02
      3.130000E+00          -1.096760E-01
      1.394000E+00          -1.611810E-02
P    P
      5.179000E-01           1.000000E+00
P    P
      2.032000E-01           1.000000E+00
P    P
      7.698000E-02           1.000000E+00
P    P
      0.0272000              1.0000000
P    D
      3.343000E+00           1.000000E+00
P    D
      8.070000E-01           1.000000E+00
P    D
      3.650000E-01           1.000000E+00
P    D
      1.540000E-01           1.000000E+00
P    D
      5.700000E-02           1.000000E+00
P    F
      7.030000E-01           1.000000E+00
P    F
      2.800000E-01           1.000000E+00
P    F
      0.1090000              1.0000000
P    G
      5.970000E-01           1.0000000
P    G
      0.2500000              1.0000000
end
basis "S_aug-cc-pv(q+d)z" 
#basis SET: (43s,20p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
S    S
      7.278000E+05           2.360250E-05
      1.090000E+05           1.834820E-04
      2.480000E+04           9.642780E-04
      7.014000E+03           4.065370E-03
      2.278000E+03           1.469730E-02
      8.147000E+02           4.650810E-02
      3.134000E+02           1.255080E-01
      1.277000E+02           2.684330E-01
      5.448000E+01           3.848090E-01
      2.385000E+01           2.653720E-01
      9.428000E+00           4.373260E-02
      4.290000E+00          -3.788070E-03
      1.909000E+00           2.180830E-03
S    S
      7.278000E+05          -6.521790E-06
      1.090000E+05          -5.066310E-05
      2.480000E+04          -2.668330E-04
      7.014000E+03          -1.126010E-03
      2.278000E+03          -4.111860E-03
      8.147000E+02          -1.324540E-02
      3.134000E+02          -3.770040E-02
      1.277000E+02          -8.985540E-02
      5.448000E+01          -1.670980E-01
      2.385000E+01          -1.693540E-01
      9.428000E+00           1.278240E-01
      4.290000E+00           5.648620E-01
      1.909000E+00           4.317670E-01
S    S
      7.278000E+05           1.894060E-06
      1.090000E+05           1.469480E-05
      2.480000E+04           7.754600E-05
      7.014000E+03           3.265090E-04
      2.278000E+03           1.196860E-03
      8.147000E+02           3.847990E-03
      3.134000E+02           1.105390E-02
      1.277000E+02           2.646450E-02
      5.448000E+01           5.087710E-02
      2.385000E+01           5.300300E-02
      9.428000E+00          -4.255180E-02
      4.290000E+00          -2.508530E-01
      1.909000E+00          -3.331520E-01
S    S
      6.270000E-01           1.000000E+00
S    S
      2.873000E-01           1.000000E+00
S    S
      1.172000E-01           1.000000E+00
S    S
      0.0428000              1.0000000
S    P
      1.546000E+03           4.411830E-04
      3.664000E+02           3.775710E-03
      1.184000E+02           1.983600E-02
      4.453000E+01           7.420630E-02
      1.838000E+01           1.973270E-01
      7.965000E+00           3.518510E-01
      3.541000E+00           3.786870E-01
      1.591000E+00           1.709310E-01
S    P
      1.546000E+03          -1.131100E-04
      3.664000E+02          -9.585810E-04
      1.184000E+02          -5.134710E-03
      4.453000E+01          -1.926410E-02
      1.838000E+01          -5.359800E-02
      7.965000E+00          -9.603330E-02
      3.541000E+00          -1.181830E-01
      1.591000E+00           9.231940E-03
S    P
      6.205000E-01           1.000000E+00
S    P
      2.420000E-01           1.000000E+00
S    P
      9.014000E-02           1.000000E+00
S    P
      0.0317000              1.0000000
S    D
      4.159000E+00           1.000000E+00
S    D
      1.019000E+00           1.000000E+00
S    D
      4.640000E-01           1.000000E+00
S    D
      1.940000E-01           1.000000E+00
S    D
      7.220000E-02           1.000000E+00
S    F
      8.690000E-01           1.000000E+00
S    F
      3.350000E-01           1.000000E+00
S    F
      0.1400000              1.0000000
S    G
      6.830000E-01           1.0000000
S    G
      0.2970000              1.0000000
end
basis "Cl_aug-cc-pv(q+d)z" 
#basis SET: (43s,20p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
Cl    S
      8.349000E+05           2.316880E-05
      1.250000E+05           1.801540E-04
      2.843000E+04           9.477820E-04
      8.033000E+03           4.001390E-03
      2.608000E+03           1.446290E-02
      9.339000E+02           4.565860E-02
      3.600000E+02           1.232480E-01
      1.470000E+02           2.643690E-01
      6.288000E+01           3.829890E-01
      2.760000E+01           2.709340E-01
      1.108000E+01           4.714040E-02
      5.075000E+00          -3.717660E-03
      2.278000E+00           2.191580E-03
Cl    S
      8.349000E+05          -6.496490E-06
      1.250000E+05          -5.048950E-05
      2.843000E+04          -2.661130E-04
      8.033000E+03          -1.124990E-03
      2.608000E+03          -4.104970E-03
      9.339000E+02          -1.319870E-02
      3.600000E+02          -3.753420E-02
      1.470000E+02          -8.972330E-02
      6.288000E+01          -1.676710E-01
      2.760000E+01          -1.747630E-01
      1.108000E+01           1.149090E-01
      5.075000E+00           5.636180E-01
      2.278000E+00           4.416060E-01
Cl    S
      8.349000E+05           1.966450E-06
      1.250000E+05           1.526200E-05
      2.843000E+04           8.060860E-05
      8.033000E+03           3.399600E-04
      2.608000E+03           1.245510E-03
      9.339000E+02           3.996120E-03
      3.600000E+02           1.147510E-02
      1.470000E+02           2.755040E-02
      6.288000E+01           5.329170E-02
      2.760000E+01           5.712460E-02
      1.108000E+01          -3.952010E-02
      5.075000E+00          -2.643430E-01
      2.278000E+00          -3.492910E-01
Cl    S
      7.775000E-01           1.000000E+00
Cl    S
      3.527000E-01           1.000000E+00
Cl    S
      1.431000E-01           1.000000E+00
Cl    S
      0.0519000              1.0000000
Cl    P
      1.703000E+03           4.740390E-04
      4.036000E+02           4.064120E-03
      1.303000E+02           2.133550E-02
      4.905000E+01           7.946110E-02
      2.026000E+01           2.089270E-01
      8.787000E+00           3.649450E-01
      3.919000E+00           3.717250E-01
      1.765000E+00           1.462920E-01
Cl    P
      1.703000E+03          -1.282660E-04
      4.036000E+02          -1.093560E-03
      1.303000E+02          -5.834290E-03
      4.905000E+01          -2.192580E-02
      2.026000E+01          -6.013850E-02
      8.787000E+00          -1.069290E-01
      3.919000E+00          -1.224540E-01
      1.765000E+00           3.836190E-02
Cl    P
      7.207000E-01           1.000000E+00
Cl    P
      2.839000E-01           1.000000E+00
Cl    P
      1.060000E-01           1.000000E+00
Cl    P
      0.0376000              1.0000000
Cl    D
      5.191000E+00           1.000000E+00
Cl    D
      1.276000E+00           1.000000E+00
Cl    D
      5.830000E-01           1.000000E+00
Cl    D
      2.430000E-01           1.000000E+00
Cl    D
      9.120000E-02           1.000000E+00
Cl    F
      1.089000E+00           1.000000E+00
Cl    F
      4.230000E-01           1.000000E+00
Cl    F
      0.2170000              1.0000000
Cl    G
      8.270000E-01           1.0000000
Cl    G
      0.3780000              1.0000000
end
basis "Ar_aug-cc-pv(q+d)z" 
#basis SET: (43s,20p,5d,3f,2g) -> [7s,6p,5d,3f,2g]
Ar    S
      9.506000E+05           2.275450E-05
      1.423000E+05           1.769450E-04
      3.236000E+04           9.312820E-04
      9.145000E+03           3.928600E-03
      2.970000E+03           1.420640E-02
      1.064000E+03           4.481140E-02
      4.108000E+02           1.210010E-01
      1.680000E+02           2.605790E-01
      7.199000E+01           3.813640E-01
      3.167000E+01           2.760580E-01
      1.289000E+01           5.051790E-02
      5.929000E+00          -3.598660E-03
      2.678000E+00           2.187980E-03
Ar    S
      9.506000E+05          -6.462010E-06
      1.423000E+05          -5.023460E-05
      3.236000E+04          -2.648040E-04
      9.145000E+03          -1.118950E-03
      2.970000E+03          -4.082760E-03
      1.064000E+03          -1.312160E-02
      4.108000E+02          -3.728550E-02
      1.680000E+02          -8.947090E-02
      7.199000E+01          -1.680540E-01
      3.167000E+01          -1.795940E-01
      1.289000E+01           1.029530E-01
      5.929000E+00           5.626300E-01
      2.678000E+00           4.503550E-01
Ar    S
      9.506000E+05           2.020560E-06
      1.423000E+05           1.568510E-05
      3.236000E+04           8.286170E-05
      9.145000E+03           3.492640E-04
      2.970000E+03           1.279760E-03
      1.064000E+03           4.103650E-03
      4.108000E+02           1.177890E-02
      1.680000E+02           2.838680E-02
      7.199000E+01           5.524060E-02
      3.167000E+01           6.074920E-02
      1.289000E+01          -3.620120E-02
      5.929000E+00          -2.753980E-01
      2.678000E+00          -3.628450E-01
Ar    S
      9.416000E-01           1.000000E+00
Ar    S
      4.239000E-01           1.000000E+00
Ar    S
      1.714000E-01           1.000000E+00
Ar    S
      0.0610000              1.0000000
Ar    P
      1.890000E+03           4.957520E-04
      4.478000E+02           4.251720E-03
      1.446000E+02           2.232770E-02
      5.446000E+01           8.308780E-02
      2.251000E+01           2.171100E-01
      9.774000E+00           3.745070E-01
      4.368000E+00           3.664450E-01
      1.959000E+00           1.292450E-01
Ar    P
      1.890000E+03          -1.388630E-04
      4.478000E+02          -1.188700E-03
      1.446000E+02          -6.325530E-03
      5.446000E+01          -2.388130E-02
      2.251000E+01          -6.492380E-02
      9.774000E+00          -1.154440E-01
      4.368000E+00          -1.236510E-01
      1.959000E+00           6.490550E-02
Ar    P
      8.260000E-01           1.000000E+00
Ar    P
      3.297000E-01           1.000000E+00
Ar    P
      1.242000E-01           1.000000E+00
Ar    P
      0.0435000              1.0000000
Ar    D
      6.315000E+00           1.000000E+00
Ar    D
      1.562000E+00           1.000000E+00
Ar    D
      7.150000E-01           1.000000E+00
Ar    D
      2.970000E-01           1.000000E+00
Ar    D
      1.080000E-01           1.000000E+00
Ar    F
      1.325000E+00           1.000000E+00
Ar    F
      5.430000E-01           1.000000E+00
Ar    F
      0.2940000              1.0000000
Ar    G
      1.007000E+00           1.0000000
Ar    G
      0.4590000              1.0000000
end
basis "Sc_aug-cc-pv(q+d)z" 
#basis SET: (149s,104p,42d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Sc    S
      8.417909E+06           1.981292E-06
      1.260312E+06           1.540697E-05
      2.867984E+05           8.106065E-05
      8.123469E+04           3.423943E-04
      2.650311E+04           1.246990E-03
      9.568701E+03           4.056425E-03
      3.732497E+03           1.200596E-02
      1.548422E+03           3.235944E-02
      6.755420E+02           7.819972E-02
      3.072522E+02           1.617396E-01
      1.446672E+02           2.618480E-01
      7.004387E+01           2.748284E-01
      3.432250E+01           1.419647E-01
      1.561224E+01           7.046176E-02
      7.743722E+00           1.288392E-01
      3.844260E+00           9.269352E-02
      1.719766E+00           1.229949E-02
      8.325230E-01          -4.588239E-04
      3.855640E-01           1.722703E-04
      9.670000E-02          -5.410745E-05
      4.777800E-02           4.892875E-05
Sc    S
      8.417909E+06          -1.147926E-06
      1.260312E+06          -8.929259E-06
      2.867984E+05          -4.696382E-05
      8.123469E+04          -1.985315E-04
      2.650311E+04          -7.230932E-04
      9.568701E+03          -2.358822E-03
      3.732497E+03          -7.008148E-03
      1.548422E+03          -1.912407E-02
      6.755420E+02          -4.728922E-02
      3.072522E+02          -1.032480E-01
      1.446672E+02          -1.861960E-01
      7.004387E+01          -2.480547E-01
      3.432250E+01          -1.614781E-01
      1.561224E+01           1.779183E-01
      7.743722E+00           5.324076E-01
      3.844260E+00           3.752830E-01
      1.719766E+00           5.198123E-02
      8.325230E-01          -4.029053E-03
      3.855640E-01           3.794092E-04
      9.670000E-02          -4.006692E-04
      4.777800E-02           3.219248E-04
Sc    S
      8.417909E+06           2.221960E-07
      1.260312E+06           1.729799E-06
      2.867984E+05           9.088001E-06
      8.123469E+04           3.848622E-05
      2.650311E+04           1.399997E-04
      9.568701E+03           4.585975E-04
      3.732497E+03           1.364588E-03
      1.548422E+03           3.773739E-03
      6.755420E+02           9.493887E-03
      3.072522E+02           2.174611E-02
      1.446672E+02           4.228528E-02
      7.004387E+01           6.540610E-02
      3.432250E+01           4.759732E-02
      1.561224E+01          -8.160330E-02
      7.743722E+00          -3.283980E-01
      3.844260E+00          -3.654561E-01
      1.719766E+00           2.102218E-01
      8.325230E-01           6.856793E-01
      3.855640E-01           3.684308E-01
      9.670000E-02           2.050798E-02
      4.777800E-02          -6.410776E-03
Sc    S
      8.417909E+06          -5.350285E-08
      1.260312E+06          -4.164419E-07
      2.867984E+05          -2.188499E-06
      8.123469E+04          -9.264628E-06
      2.650311E+04          -3.371711E-05
      9.568701E+03          -1.103886E-04
      3.732497E+03          -3.287051E-04
      1.548422E+03          -9.084250E-04
      6.755420E+02          -2.288204E-03
      3.072522E+02          -5.238462E-03
      1.446672E+02          -1.021547E-02
      7.004387E+01          -1.581707E-02
      3.432250E+01          -1.162945E-02
      1.561224E+01           2.013432E-02
      7.743722E+00           8.405086E-02
      3.844260E+00           9.848250E-02
      1.719766E+00          -6.838523E-02
      8.325230E-01          -2.353627E-01
      3.855640E-01          -2.776984E-01
      9.670000E-02           2.987423E-01
      4.777800E-02           6.193723E-01
Sc    S
      8.417909E+06          -9.140993E-08
      1.260312E+06          -7.270775E-07
      2.867984E+05          -3.702449E-06
      8.123469E+04          -1.633468E-05
      2.650311E+04          -5.642360E-05
      9.568701E+03          -1.968190E-04
      3.732497E+03          -5.428811E-04
      1.548422E+03          -1.642692E-03
      6.755420E+02          -3.709752E-03
      3.072522E+02          -9.699229E-03
      1.446672E+02          -1.589350E-02
      7.004387E+01          -3.149937E-02
      3.432250E+01          -1.153920E-02
      1.561224E+01           1.426789E-02
      7.743722E+00           1.977719E-01
      3.844260E+00           9.493216E-02
      1.719766E+00           2.678950E-02
      8.325230E-01          -9.351082E-01
      3.855640E-01           1.820725E-01
      9.670000E-02           2.077423E+00
      4.777800E-02          -1.113944E+00
Sc    S
      8.417909E+06          -1.445075E-07
      1.260312E+06          -1.167681E-06
      2.867984E+05          -5.810201E-06
      8.123469E+04          -2.641620E-05
      2.650311E+04          -8.781407E-05
      9.568701E+03          -3.207912E-04
      3.732497E+03          -8.363750E-04
      1.548422E+03          -2.703640E-03
      6.755420E+02          -5.633960E-03
      3.072522E+02          -1.622651E-02
      1.446672E+02          -2.336426E-02
      7.004387E+01          -5.523292E-02
      3.432250E+01          -8.807771E-03
      1.561224E+01          -2.060869E-04
      7.743722E+00           3.882857E-01
      3.844260E+00           9.743430E-02
      1.719766E+00           6.858569E-03
      8.325230E-01          -2.321570E+00
      3.855640E-01           2.666580E+00
      9.670000E-02           1.898281E-01
      4.777800E-02          -2.684065E+00
Sc    S
      8.417909E+06          -1.607992E-07
      1.260312E+06          -1.216461E-06
      2.867984E+05          -6.659894E-06
      8.123469E+04          -2.670499E-05
      2.650311E+04          -1.039947E-04
      9.568701E+03          -3.133995E-04
      3.732497E+03          -1.029884E-03
      1.548422E+03          -2.530633E-03
      6.755420E+02          -7.335917E-03
      3.072522E+02          -1.414587E-02
      1.446672E+02          -3.451496E-02
      7.004387E+01          -3.859251E-02
      3.432250E+01          -5.560506E-02
      1.561224E+01           1.025062E-01
      7.743722E+00           2.265527E-01
      3.844260E+00           6.017289E-01
      1.719766E+00          -1.402974E+00
      8.325230E-01          -8.478364E-01
      3.855640E-01           3.094789E+00
      9.670000E-02          -5.792733E+00
      4.777800E-02           6.944158E+00
Sc    S
      2.236300E-02           1.000000E+00
Sc    S
      0.0104700              1.0000000
Sc    P
      2.264097E+04           1.200000E-05
      5.357545E+03           1.070000E-04
      1.740373E+03           6.250000E-04
      6.666163E+02           2.830000E-03
      2.836384E+02           1.053000E-02
      1.297976E+02           3.288100E-02
      6.267956E+01           8.588400E-02
      3.150441E+01           1.800300E-01
      1.623525E+01           2.892240E-01
      8.518324E+00           3.279100E-01
      4.519005E+00           2.101980E-01
      2.366591E+00           5.468000E-02
      1.215235E+00           1.853000E-03
      6.143480E-01          -1.417000E-03
      3.007450E-01          -9.530000E-04
      1.260040E-01          -5.100000E-05
      5.484000E-02          -2.100000E-05
Sc    P
      2.264097E+04          -4.000000E-06
      5.357545E+03          -3.500000E-05
      1.740373E+03          -2.050000E-04
      6.666163E+02          -9.320000E-04
      2.836384E+02          -3.484000E-03
      1.297976E+02          -1.101900E-02
      6.267956E+01          -2.941500E-02
      3.150441E+01          -6.371300E-02
      1.623525E+01          -1.060850E-01
      8.518324E+00          -1.286380E-01
      4.519005E+00          -5.301200E-02
      2.366591E+00           1.740260E-01
      1.215235E+00           3.925500E-01
      6.143480E-01           3.965140E-01
      3.007450E-01           1.765440E-01
      1.260040E-01           1.911100E-02
      5.484000E-02           7.500000E-05
Sc    P
      2.264097E+04           1.000000E-06
      5.357545E+03           9.000000E-06
      1.740373E+03           5.000000E-05
      6.666163E+02           2.270000E-04
      2.836384E+02           8.530000E-04
      1.297976E+02           2.686000E-03
      6.267956E+01           7.225000E-03
      3.150441E+01           1.559000E-02
      1.623525E+01           2.630300E-02
      8.518324E+00           3.177700E-02
      4.519005E+00           1.248300E-02
      2.366591E+00          -5.262700E-02
      1.215235E+00          -1.140250E-01
      6.143480E-01          -1.463710E-01
      3.007450E-01          -1.386300E-02
      1.260040E-01           3.524440E-01
      5.484000E-02           5.504540E-01
Sc    P
      2.264097E+04           1.000000E-06
      5.357545E+03           1.000000E-05
      1.740373E+03           6.000000E-05
      6.666163E+02           2.740000E-04
      2.836384E+02           1.025000E-03
      1.297976E+02           3.250000E-03
      6.267956E+01           8.674000E-03
      3.150441E+01           1.886600E-02
      1.623525E+01           3.146600E-02
      8.518324E+00           3.866300E-02
      4.519005E+00           1.492300E-02
      2.366591E+00          -5.967000E-02
      1.215235E+00          -1.347060E-01
      6.143480E-01          -1.728090E-01
      3.007450E-01          -8.069800E-02
      1.260040E-01           5.542640E-01
      5.484000E-02           5.500070E-01
Sc    P
      2.264097E+04           2.000000E-06
      5.357545E+03           2.000000E-05
      1.740373E+03           1.280000E-04
      6.666163E+02           5.340000E-04
      2.836384E+02           2.164000E-03
      1.297976E+02           6.307000E-03
      6.267956E+01           1.837700E-02
      3.150441E+01           3.601600E-02
      1.623525E+01           6.943000E-02
      8.518324E+00           7.194900E-02
      4.519005E+00           5.778900E-02
      2.366591E+00          -1.752840E-01
      1.215235E+00          -3.373290E-01
      6.143480E-01          -5.644270E-01
      3.007450E-01           1.163380E+00
      1.260040E-01           5.658350E-01
      5.484000E-02          -9.715060E-01
Sc    P
      2.264097E+04          -2.000000E-06
      5.357545E+03          -2.900000E-05
      1.740373E+03          -1.300000E-04
      6.666163E+02          -7.520000E-04
      2.836384E+02          -2.212000E-03
      1.297976E+02          -8.893000E-03
      6.267956E+01          -1.826200E-02
      3.150441E+01          -5.304100E-02
      1.623525E+01          -5.993900E-02
      8.518324E+00          -1.556420E-01
      4.519005E+00           9.572000E-03
      2.366591E+00           9.189800E-02
      1.215235E+00           1.256710E+00
      6.143480E-01          -1.011115E+00
      3.007450E-01          -1.368836E+00
      1.260040E-01           2.377782E+00
      5.484000E-02          -1.153984E+00
Sc    P
      2.355700E-02           1.000000E+00
Sc    P
      0.0101200              1.0000000
Sc    D
      1.454680E+02           4.940000E-04
      4.341880E+01           4.198000E-03
      1.657680E+01           1.896700E-02
      6.971110E+00           5.840800E-02
      3.133470E+00           1.376050E-01
      1.457680E+00           2.314700E-01
      6.745380E-01           2.965300E-01
      3.051620E-01           3.052000E-01
      1.341130E-01           2.380750E-01
      5.727000E-02           1.073860E-01
Sc    D
      1.454680E+02          -5.050000E-04
      4.341880E+01          -4.293000E-03
      1.657680E+01          -1.947500E-02
      6.971110E+00          -6.063100E-02
      3.133470E+00          -1.436610E-01
      1.457680E+00          -2.292940E-01
      6.745380E-01          -2.619730E-01
      3.051620E-01          -5.300600E-02
      1.341130E-01           4.119990E-01
      5.727000E-02           4.831900E-01
Sc    D
      1.454680E+02          -6.670000E-04
      4.341880E+01          -5.593000E-03
      1.657680E+01          -2.599000E-02
      6.971110E+00          -7.914000E-02
      3.133470E+00          -1.936220E-01
      1.457680E+00          -2.899810E-01
      6.745380E-01          -1.702510E-01
      3.051620E-01           6.126870E-01
      1.341130E-01           4.817940E-01
      5.727000E-02          -6.794480E-01
Sc    D
      1.454680E+02           8.360000E-04
      4.341880E+01           8.495000E-03
      1.657680E+01           3.348100E-02
      6.971110E+00           1.270110E-01
      3.133470E+00           2.482810E-01
      1.457680E+00           4.455630E-01
      6.745380E-01          -5.406450E-01
      3.051620E-01          -8.783940E-01
      1.341130E-01           1.443118E+00
      5.727000E-02          -4.690810E-01
Sc    D
      2.335400E-02           1.000000E+00
Sc    D
      0.0095200              1.0000000
Sc    F
      1.416700E+00           1.000000E+00
Sc    F
      3.992000E-01           1.000000E+00
Sc    F
      1.125000E-01           1.000000E+00
Sc    F
      0.0312800              1.0000000
Sc    G
      9.963000E-01           1.000000E+00
Sc    G
      2.573000E-01           1.000000E+00
Sc    G
      0.0723600              1.0000000
Sc    H
      5.016000E-01           1.0000000
Sc    H
      0.1226400              1.0000000
end
basis "Ti_aug-cc-pv(q+d)z" 
#basis SET: (149s,104p,42d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Ti    S
      9.317034E+06           1.967884E-06
      1.394971E+06           1.530198E-05
      3.174531E+05           8.050403E-05
      8.992100E+04           3.400302E-04
      2.933816E+04           1.238349E-03
      1.059266E+04           4.028475E-03
      4.132056E+03           1.192508E-02
      1.714235E+03           3.215601E-02
      7.479151E+02           7.778620E-02
      3.401991E+02           1.612030E-01
      1.602060E+02           2.618826E-01
      7.758851E+01           2.766541E-01
      3.804489E+01           1.442968E-01
      1.735362E+01           6.993131E-02
      8.642062E+00           1.259449E-01
      4.304404E+00           9.025830E-02
      1.937718E+00           1.200401E-02
      9.365940E-01          -3.976168E-04
      4.326240E-01           1.425444E-04
      1.073520E-01          -4.196664E-05
      5.203400E-02           4.824213E-05
Ti    S
      9.317034E+06          -1.130007E-06
      1.394971E+06          -8.789416E-06
      3.174531E+05          -4.622623E-05
      8.992100E+04          -1.954047E-04
      2.933816E+04          -7.117000E-04
      1.059266E+04          -2.321755E-03
      4.132056E+03          -6.899511E-03
      1.714235E+03          -1.883765E-02
      7.479151E+02          -4.663976E-02
      3.401991E+02          -1.020764E-01
      1.602060E+02          -1.848693E-01
      7.758851E+01          -2.479601E-01
      3.804489E+01          -1.634863E-01
      1.735362E+01           1.779147E-01
      8.642062E+00           5.351738E-01
      4.304404E+00           3.752822E-01
      1.937718E+00           5.217038E-02
      9.365940E-01          -3.863192E-03
      4.326240E-01           2.845374E-04
      1.073520E-01          -3.500414E-04
      5.203400E-02           3.192906E-04
Ti    S
      9.317034E+06           2.252735E-07
      1.394971E+06           1.753631E-06
      3.174531E+05           9.213052E-06
      8.992100E+04           3.901242E-05
      2.933816E+04           1.419184E-04
      1.059266E+04           4.648635E-04
      4.132056E+03           1.383544E-03
      1.714235E+03           3.827354E-03
      7.479151E+02           9.639191E-03
      3.401991E+02           2.211719E-02
      1.602060E+02           4.314954E-02
      7.758851E+01           6.703481E-02
      3.804489E+01           4.946424E-02
      1.735362E+01          -8.333456E-02
      8.642062E+00          -3.384435E-01
      4.304404E+00          -3.674069E-01
      1.937718E+00           2.247056E-01
      9.365940E-01           6.878815E-01
      4.326240E-01           3.594435E-01
      1.073520E-01           1.933695E-02
      5.203400E-02          -5.997819E-03
Ti    S
      9.317034E+06          -5.318433E-08
      1.394971E+06          -4.139855E-07
      3.174531E+05          -2.175153E-06
      8.992100E+04          -9.209567E-06
      2.933816E+04          -3.350761E-05
      1.059266E+04          -1.097393E-04
      4.132056E+03          -3.267006E-04
      1.714235E+03          -9.036567E-04
      7.479151E+02          -2.277257E-03
      3.401991E+02          -5.226756E-03
      1.602060E+02          -1.021707E-02
      7.758851E+01          -1.591468E-02
      3.804489E+01          -1.182814E-02
      1.735362E+01           2.011999E-02
      8.642062E+00           8.526584E-02
      4.304404E+00           9.693489E-02
      1.937718E+00          -7.082672E-02
      9.365940E-01          -2.359740E-01
      4.326240E-01          -2.629613E-01
      1.073520E-01           3.011214E-01
      5.203400E-02           6.125074E-01
Ti    S
      9.317034E+06          -9.711872E-08
      1.394971E+06          -7.733970E-07
      3.174531E+05          -3.931052E-06
      8.992100E+04          -1.738323E-05
      2.933816E+04          -5.986536E-05
      1.059266E+04          -2.095853E-04
      4.132056E+03          -5.756482E-04
      1.714235E+03          -1.751595E-03
      7.479151E+02          -3.935120E-03
      3.401991E+02          -1.038490E-02
      1.602060E+02          -1.691100E-02
      7.758851E+01          -3.410989E-02
      3.804489E+01          -1.220437E-02
      1.735362E+01           1.397535E-02
      8.642062E+00           2.176212E-01
      4.304404E+00           9.532708E-02
      1.937718E+00           1.782524E-02
      9.365940E-01          -1.016342E+00
      4.326240E-01           3.107026E-01
      1.073520E-01           1.991786E+00
      5.203400E-02          -1.142955E+00
Ti    S
      9.317034E+06          -1.533644E-07
      1.394971E+06          -1.234295E-06
      3.174531E+05          -6.177188E-06
      8.992100E+04          -2.787253E-05
      2.933816E+04          -9.355199E-05
      1.059266E+04          -3.378352E-04
      4.132056E+03          -8.935475E-04
      1.714235E+03          -2.842353E-03
      7.479151E+02          -6.052332E-03
      3.401991E+02          -1.704690E-02
      1.602060E+02          -2.549806E-02
      7.758851E+01          -5.791149E-02
      3.804489E+01          -1.271791E-02
      1.735362E+01           6.260762E-03
      8.642062E+00           4.080306E-01
      4.304404E+00           1.284258E-01
      1.937718E+00          -1.231286E-01
      9.365940E-01          -2.267331E+00
      4.326240E-01           2.807507E+00
      1.073520E-01          -3.028009E-01
      5.203400E-02          -2.071227E+00
Ti    S
      9.317034E+06          -1.764526E-07
      1.394971E+06          -1.314401E-06
      3.174531E+05          -7.355464E-06
      8.992100E+04          -2.863762E-05
      2.933816E+04          -1.156551E-04
      1.059266E+04          -3.330732E-04
      4.132056E+03          -1.155156E-03
      1.714235E+03          -2.659832E-03
      7.479151E+02          -8.332036E-03
      3.401991E+02          -1.462611E-02
      1.602060E+02          -4.030890E-02
      7.758851E+01          -3.745842E-02
      3.804489E+01          -7.375959E-02
      1.735362E+01           1.443268E-01
      8.642062E+00           2.119031E-01
      4.304404E+00           7.474187E-01
      1.937718E+00          -2.031080E+00
      9.365940E-01           1.922693E-01
      4.326240E-01           2.287768E+00
      1.073520E-01          -5.168135E+00
      5.203400E-02           6.460323E+00
Ti    S
      2.403800E-02           1.000000E+00
Ti    S
      0.0111000              1.0000000
Ti    P
      2.553733E+04           1.200000E-05
      6.042243E+03           1.040000E-04
      1.962653E+03           6.070000E-04
      7.517338E+02           2.751000E-03
      3.198833E+02           1.026600E-02
      1.464300E+02           3.218000E-02
      7.074861E+01           8.448600E-02
      3.559088E+01           1.783320E-01
      1.836893E+01           2.885740E-01
      9.658655E+00           3.287580E-01
      5.136730E+00           2.115410E-01
      2.698872E+00           5.551900E-02
      1.389703E+00           2.020000E-03
      7.031630E-01          -1.429000E-03
      3.441230E-01          -9.410000E-04
      1.413610E-01          -5.300000E-05
      6.086300E-02          -1.700000E-05
Ti    P
      2.553733E+04          -4.000000E-06
      6.042243E+03          -3.500000E-05
      1.962653E+03          -2.030000E-04
      7.517338E+02          -9.250000E-04
      3.198833E+02          -3.470000E-03
      1.464300E+02          -1.102000E-02
      7.074861E+01          -2.957700E-02
      3.559088E+01          -6.457400E-02
      1.836893E+01          -1.084580E-01
      9.658655E+00          -1.319100E-01
      5.136730E+00          -5.308900E-02
      2.698872E+00           1.781250E-01
      1.389703E+00           3.957010E-01
      7.031630E-01           3.927280E-01
      3.441230E-01           1.744770E-01
      1.413610E-01           1.894600E-02
      6.086300E-02          -3.280000E-04
Ti    P
      2.553733E+04           1.000000E-06
      6.042243E+03           8.000000E-06
      1.962653E+03           4.900000E-05
      7.517338E+02           2.210000E-04
      3.198833E+02           8.360000E-04
      1.464300E+02           2.641000E-03
      7.074861E+01           7.151000E-03
      3.559088E+01           1.553000E-02
      1.836893E+01           2.647900E-02
      9.658655E+00           3.198000E-02
      5.136730E+00           1.256100E-02
      2.698872E+00          -5.299400E-02
      1.389703E+00          -1.130390E-01
      7.031630E-01          -1.436980E-01
      3.441230E-01          -1.033600E-02
      1.413610E-01           3.547360E-01
      6.086300E-02           5.481010E-01
Ti    P
      2.553733E+04           1.000000E-06
      6.042243E+03           1.000000E-05
      1.962653E+03           6.100000E-05
      7.517338E+02           2.750000E-04
      3.198833E+02           1.034000E-03
      1.464300E+02           3.283000E-03
      7.074861E+01           8.829000E-03
      3.559088E+01           1.930800E-02
      1.836893E+01           3.261200E-02
      9.658655E+00           3.997700E-02
      5.136730E+00           1.529900E-02
      2.698872E+00          -6.262000E-02
      1.389703E+00          -1.382880E-01
      7.031630E-01          -1.763480E-01
      3.441230E-01          -5.540400E-02
      1.413610E-01           5.592910E-01
      6.086300E-02           5.331150E-01
Ti    P
      2.553733E+04           2.000000E-06
      6.042243E+03           2.000000E-05
      1.962653E+03           1.260000E-04
      7.517338E+02           5.260000E-04
      3.198833E+02           2.151000E-03
      1.464300E+02           6.257000E-03
      7.074861E+01           1.845500E-02
      3.559088E+01           3.624700E-02
      1.836893E+01           7.092000E-02
      9.658655E+00           7.182700E-02
      5.136730E+00           5.920100E-02
      2.698872E+00          -1.842720E-01
      1.389703E+00          -3.296530E-01
      7.031630E-01          -5.457640E-01
      3.441230E-01           1.145431E+00
      1.413610E-01           5.526250E-01
      6.086300E-02          -9.642600E-01
Ti    P
      2.553733E+04          -3.000000E-06
      6.042243E+03          -2.800000E-05
      1.962653E+03          -1.340000E-04
      7.517338E+02          -7.360000E-04
      3.198833E+02          -2.293000E-03
      1.464300E+02          -8.752000E-03
      7.074861E+01          -1.922600E-02
      3.559088E+01          -5.258900E-02
      1.836893E+01          -6.589400E-02
      9.658655E+00          -1.481120E-01
      5.136730E+00          -2.412400E-02
      2.698872E+00           1.769790E-01
      1.389703E+00           1.158428E+00
      7.031630E-01          -9.634580E-01
      3.441230E-01          -1.324508E+00
      1.413610E-01           2.291373E+00
      6.086300E-02          -1.112932E+00
Ti    P
      2.590700E-02           1.000000E+00
Ti    P
      0.0110300              1.0000000
Ti    D
      1.969490E+02           3.820000E-04
      5.883720E+01           3.368000E-03
      2.256540E+01           1.624200E-02
      9.575660E+00           5.237700E-02
      4.318590E+00           1.299280E-01
      2.023270E+00           2.312330E-01
      9.467780E-01           3.035610E-01
      4.338760E-01           3.092680E-01
      1.922740E-01           2.316440E-01
      8.150200E-02           1.015400E-01
Ti    D
      1.969490E+02          -3.880000E-04
      5.883720E+01          -3.428000E-03
      2.256540E+01          -1.659800E-02
      9.575660E+00          -5.417200E-02
      4.318590E+00          -1.366600E-01
      2.023270E+00          -2.294490E-01
      9.467780E-01          -2.549950E-01
      4.338760E-01          -4.766100E-02
      1.922740E-01           3.948800E-01
      8.150200E-02           4.964530E-01
Ti    D
      1.969490E+02          -6.220000E-04
      5.883720E+01          -5.493000E-03
      2.256540E+01          -2.696800E-02
      9.575660E+00          -8.953300E-02
      4.318590E+00          -2.283740E-01
      2.023270E+00          -3.312580E-01
      9.467780E-01          -1.063490E-01
      4.338760E-01           6.310360E-01
      1.922740E-01           3.966210E-01
      8.150200E-02          -6.180090E-01
Ti    D
      1.969490E+02          -6.960000E-04
      5.883720E+01          -7.089000E-03
      2.256540E+01          -3.101300E-02
      9.575660E+00          -1.200550E-01
      4.318590E+00          -2.789100E-01
      2.023270E+00          -3.789610E-01
      9.467780E-01           5.737430E-01
      4.338760E-01           7.279500E-01
      1.922740E-01          -1.297656E+00
      8.150200E-02           3.203760E-01
Ti    D
      3.228500E-02           1.000000E+00
Ti    D
      0.0127900              1.0000000
Ti    F
      2.262600E+00           1.000000E+00
Ti    F
      6.418000E-01           1.000000E+00
Ti    F
      1.821000E-01           1.000000E+00
Ti    F
      0.0554100              1.0000000
Ti    G
      1.573200E+00           1.000000E+00
Ti    G
      4.002000E-01           1.000000E+00
Ti    G
      0.1256600              1.0000000
Ti    H
      8.721000E-01           1.0000000
Ti    H
      0.2724200              1.0000000
end
basis "V_aug-cc-pv(q+d)z" 
#basis SET: (149s,104p,42d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
V    S
      1.025178E+07           1.966291E-06
      1.534920E+06           1.528967E-05
      3.493009E+05           8.043932E-05
      9.894205E+04           3.397617E-04
      3.228136E+04           1.237405E-03
      1.165527E+04           4.025740E-03
      4.546548E+03           1.191912E-02
      1.886185E+03           3.215431E-02
      8.229417E+02           7.785452E-02
      3.743439E+02           1.616367E-01
      1.763069E+02           2.634194E-01
      8.540661E+01           2.799986E-01
      4.190435E+01           1.473474E-01
      1.915525E+01           6.826405E-02
      9.571617E+00           1.194436E-01
      4.780086E+00           8.507582E-02
      2.161860E+00           1.125814E-02
      1.042711E+00          -3.353521E-04
      4.802820E-01           1.070571E-04
      1.176380E-01          -2.979622E-05
      5.617400E-02           4.672816E-05
V    S
      1.025178E+07          -1.100923E-06
      1.534920E+06          -8.563250E-06
      3.493009E+05          -4.503678E-05
      9.894205E+04          -1.903808E-04
      3.228136E+04          -6.934284E-04
      1.165527E+04          -2.262429E-03
      4.546548E+03          -6.724991E-03
      1.886185E+03          -1.837325E-02
      8.229417E+02          -4.555260E-02
      3.743439E+02          -9.996969E-02
      1.763069E+02          -1.819111E-01
      8.540661E+01          -2.458744E-01
      4.190435E+01          -1.638089E-01
      1.915525E+01           1.795843E-01
      9.571617E+00           5.389547E-01
      4.780086E+00           3.749098E-01
      2.161860E+00           5.200269E-02
      1.042711E+00          -3.775873E-03
      4.802820E-01           1.686888E-04
      1.176380E-01          -3.063802E-04
      5.617400E-02           3.238096E-04
V    S
      1.025178E+07           2.278854E-07
      1.534920E+06           1.773942E-06
      3.493009E+05           9.319992E-06
      9.894205E+04           3.946449E-05
      3.228136E+04           1.435720E-04
      1.165527E+04           4.702911E-04
      4.546548E+03           1.399998E-03
      1.886185E+03           3.874111E-03
      8.229417E+02           9.765942E-03
      3.743439E+02           2.244179E-02
      1.763069E+02           4.390091E-02
      8.540661E+01           6.843462E-02
      4.190435E+01           5.096500E-02
      1.915525E+01          -8.535940E-02
      9.571617E+00          -3.474804E-01
      4.780086E+00          -3.672368E-01
      2.161860E+00           2.385408E-01
      1.042711E+00           6.888178E-01
      4.802820E-01           3.509919E-01
      1.176380E-01           1.826144E-02
      5.617400E-02          -5.541134E-03
V    S
      1.025178E+07          -5.275948E-08
      1.534920E+06          -4.107129E-07
      3.493009E+05          -2.157711E-06
      9.894205E+04          -9.137220E-06
      3.228136E+04          -3.323885E-05
      1.165527E+04          -1.088925E-04
      4.546548E+03          -3.241407E-04
      1.886185E+03          -8.972319E-04
      8.229417E+02          -2.262105E-03
      3.743439E+02          -5.203068E-03
      1.763069E+02          -1.019123E-02
      8.540661E+01          -1.594820E-02
      4.190435E+01          -1.193588E-02
      1.915525E+01           2.018344E-02
      9.571617E+00           8.610071E-02
      4.780086E+00           9.487917E-02
      2.161860E+00          -7.309753E-02
      1.042711E+00          -2.349632E-01
      4.802820E-01          -2.500297E-01
      1.176380E-01           3.026096E-01
      5.617400E-02           6.061635E-01
V    S
      1.025178E+07          -1.003479E-07
      1.534920E+06          -7.997061E-07
      3.493009E+05          -4.060397E-06
      9.894205E+04          -1.798070E-05
      3.228136E+04          -6.181370E-05
      1.165527E+04          -2.168915E-04
      4.546548E+03          -5.942417E-04
      1.886185E+03          -1.814506E-03
      8.229417E+02          -4.064807E-03
      3.743439E+02          -1.079223E-02
      1.763069E+02          -1.752264E-02
      8.540661E+01          -3.573873E-02
      4.190435E+01          -1.263079E-02
      1.915525E+01           1.393494E-02
      9.571617E+00           2.305046E-01
      4.780086E+00           9.365740E-02
      2.161860E+00           7.828960E-03
      1.042711E+00          -1.053854E+00
      4.802820E-01           3.865591E-01
      1.176380E-01           1.925783E+00
      5.617400E-02          -1.146429E+00
V    S
      1.025178E+07          -1.592148E-07
      1.534920E+06          -1.278305E-06
      3.493009E+05          -6.420097E-06
      9.894205E+04          -2.883633E-05
      3.228136E+04          -9.735890E-05
      1.165527E+04          -3.491402E-04
      4.546548E+03          -9.316194E-04
      1.886185E+03          -2.934959E-03
      8.229417E+02          -6.333703E-03
      3.743439E+02          -1.760698E-02
      1.763069E+02          -2.696848E-02
      8.540661E+01          -5.982079E-02
      4.190435E+01          -1.545613E-02
      1.915525E+01           1.103001E-02
      9.571617E+00           4.234006E-01
      4.780086E+00           1.454088E-01
      2.161860E+00          -2.197140E-01
      1.042711E+00          -2.194329E+00
      4.802820E-01           2.857441E+00
      1.176380E-01          -5.832475E-01
      5.617400E-02          -1.692845E+00
V    S
      1.025178E+07          -1.885199E-07
      1.534920E+06          -1.394550E-06
      3.493009E+05          -7.881519E-06
      9.894205E+04          -3.027981E-05
      3.228136E+04          -1.243160E-04
      1.165527E+04          -3.507231E-04
      4.546548E+03          -1.246440E-03
      1.886185E+03          -2.787420E-03
      8.229417E+02          -9.045618E-03
      3.743439E+02          -1.522967E-02
      1.763069E+02          -4.437496E-02
      8.540661E+01          -3.793507E-02
      4.190435E+01          -8.564216E-02
      1.915525E+01           1.715635E-01
      9.571617E+00           2.192374E-01
      4.780086E+00           8.190393E-01
      2.161860E+00          -2.439698E+00
      1.042711E+00           9.048685E-01
      4.802820E-01           1.706923E+00
      1.176380E-01          -4.675814E+00
      5.617400E-02           6.048734E+00
V    S
      2.566100E-02           1.000000E+00
V    S
      0.0117200              1.0000000
V    P
      2.856332E+04           1.100000E-05
      6.757191E+03           1.010000E-04
      2.194652E+03           5.920000E-04
      8.405257E+02           2.690000E-03
      3.576666E+02           1.006300E-02
      1.637534E+02           3.165400E-02
      7.914466E+01           8.347800E-02
      3.983858E+01           1.772260E-01
      2.058536E+01           2.883980E-01
      1.084307E+01           3.294320E-01
      5.777969E+00           2.121300E-01
      3.043170E+00           5.588200E-02
      1.570239E+00           2.097000E-03
      7.949750E-01          -1.471000E-03
      3.889800E-01          -9.480000E-04
      1.573270E-01          -5.500000E-05
      6.656600E-02          -1.300000E-05
V    P
      2.856332E+04          -4.000000E-06
      6.757191E+03          -3.400000E-05
      2.194652E+03          -2.020000E-04
      8.405257E+02          -9.200000E-04
      3.576666E+02          -3.459000E-03
      1.637534E+02          -1.102500E-02
      7.914466E+01          -2.973200E-02
      3.983858E+01          -6.534900E-02
      2.058536E+01          -1.105270E-01
      1.084307E+01          -1.345370E-01
      5.777969E+00          -5.243700E-02
      3.043170E+00           1.822160E-01
      1.570239E+00           3.980180E-01
      7.949750E-01           3.891530E-01
      3.889800E-01           1.727170E-01
      1.573270E-01           1.874600E-02
      6.656600E-02          -5.940000E-04
V    P
      2.856332E+04           1.000000E-06
      6.757191E+03           8.000000E-06
      2.194652E+03           4.900000E-05
      8.405257E+02           2.210000E-04
      3.576666E+02           8.380000E-04
      1.637534E+02           2.656000E-03
      7.914466E+01           7.233000E-03
      3.983858E+01           1.580800E-02
      2.058536E+01           2.717200E-02
      1.084307E+01           3.280100E-02
      5.777969E+00           1.233800E-02
      3.043170E+00          -5.541800E-02
      1.570239E+00          -1.156040E-01
      7.949750E-01          -1.390920E-01
      3.889800E-01           6.820000E-04
      1.573270E-01           3.520090E-01
      6.656600E-02           5.422050E-01
V    P
      2.856332E+04           1.000000E-06
      6.757191E+03           1.000000E-05
      2.194652E+03           6.000000E-05
      8.405257E+02           2.750000E-04
      3.576666E+02           1.033000E-03
      1.637534E+02           3.296000E-03
      7.914466E+01           8.896000E-03
      3.983858E+01           1.961300E-02
      2.058536E+01           3.331800E-02
      1.084307E+01           4.100900E-02
      5.777969E+00           1.495900E-02
      3.043170E+00          -6.425600E-02
      1.570239E+00          -1.418170E-01
      7.949750E-01          -1.739660E-01
      3.889800E-01          -4.113200E-02
      1.573270E-01           5.639950E-01
      6.656600E-02           5.238960E-01
V    P
      2.856332E+04           2.000000E-06
      6.757191E+03           2.000000E-05
      2.194652E+03           1.290000E-04
      8.405257E+02           5.360000E-04
      3.576666E+02           2.203000E-03
      1.637534E+02           6.428000E-03
      7.914466E+01           1.907100E-02
      3.983858E+01           3.771200E-02
      2.058536E+01           7.426700E-02
      1.084307E+01           7.526000E-02
      5.777969E+00           6.099800E-02
      3.043170E+00          -2.009760E-01
      1.570239E+00          -3.453430E-01
      7.949750E-01          -5.018350E-01
      3.889800E-01           1.143631E+00
      1.573270E-01           5.044870E-01
      6.656600E-02          -9.441030E-01
V    P
      2.856332E+04          -3.000000E-06
      6.757191E+03          -2.900000E-05
      2.194652E+03          -1.410000E-04
      8.405257E+02          -7.730000E-04
      3.576666E+02          -2.422000E-03
      1.637534E+02          -9.267000E-03
      7.914466E+01          -2.055500E-02
      3.983858E+01          -5.648500E-02
      2.058536E+01          -7.149300E-02
      1.084307E+01          -1.577910E-01
      5.777969E+00          -2.155200E-02
      3.043170E+00           2.379500E-01
      1.570239E+00           1.131837E+00
      7.949750E-01          -1.089180E+00
      3.889800E-01          -1.125773E+00
      1.573270E-01           2.168189E+00
      6.656600E-02          -1.110263E+00
V    P
      2.786100E-02           1.000000E+00
V    P
      0.0116600              1.0000000
V    D
      2.380090E+02           3.500000E-04
      7.118960E+01           3.130000E-03
      2.739460E+01           1.547800E-02
      1.171730E+01           5.082900E-02
      5.324800E+00           1.275480E-01
      2.516980E+00           2.304470E-01
      1.190750E+00           3.040580E-01
      5.518090E-01           3.083660E-01
      2.469260E-01           2.290220E-01
      1.051000E-01           1.013600E-01
V    D
      2.380090E+02          -3.700000E-04
      7.118960E+01          -3.317000E-03
      2.739460E+01          -1.647400E-02
      1.171730E+01          -5.483900E-02
      5.324800E+00          -1.408390E-01
      2.516980E+00          -2.395530E-01
      1.190750E+00          -2.519100E-01
      5.518090E-01          -2.610600E-02
      2.469260E-01           3.877700E-01
      1.051000E-01           4.867240E-01
V    D
      2.380090E+02          -5.750000E-04
      7.118960E+01          -5.157000E-03
      2.739460E+01          -2.592900E-02
      1.171730E+01          -8.805900E-02
      5.324800E+00          -2.311790E-01
      2.516980E+00          -3.383520E-01
      1.190750E+00          -8.503000E-02
      5.518090E-01           6.267990E-01
      2.469260E-01           3.834730E-01
      1.051000E-01          -6.102620E-01
V    D
      2.380090E+02           7.340000E-04
      7.118960E+01           7.258000E-03
      2.739460E+01           3.395800E-02
      1.171730E+01           1.298550E-01
      5.324800E+00           3.316480E-01
      2.516980E+00           3.569830E-01
      1.190750E+00          -6.934390E-01
      5.518090E-01          -5.768500E-01
      2.469260E-01           1.228029E+00
      1.051000E-01          -3.167410E-01
V    D
      4.139300E-02           1.000000E+00
V    D
      0.0163000              1.0000000
V    F
      3.064800E+00           1.000000E+00
V    F
      8.840000E-01           1.000000E+00
V    F
      2.550000E-01           1.000000E+00
V    F
      0.0818500              1.0000000
V    G
      2.153800E+00           1.000000E+00
V    G
      5.645000E-01           1.000000E+00
V    G
      0.1933900              1.0000000
V    H
      1.316500E+00           1.0000000
V    H
      0.4711900              1.0000000
end
basis "Cr_aug-cc-pv(q+d)z" 
#basis SET: (149s,104p,42d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Cr    S
      1.101664E+07           2.002522E-06
      1.649423E+06           1.557145E-05
      3.753589E+05           8.192146E-05
      1.063236E+05           3.460132E-04
      3.468976E+04           1.260141E-03
      1.252483E+04           4.099273E-03
      4.885752E+03           1.213424E-02
      2.026918E+03           3.271636E-02
      8.843645E+02           7.912296E-02
      4.023170E+02           1.638397E-01
      1.895271E+02           2.655107E-01
      9.186095E+01           2.789671E-01
      4.512476E+01           1.444466E-01
      2.062512E+01           6.941606E-02
      1.031973E+01           1.195153E-01
      5.157723E+00           8.084582E-02
      2.312628E+00           9.975024E-03
      1.103079E+00          -2.865770E-04
      4.980420E-01           1.176051E-04
      1.182470E-01          -2.164013E-05
      5.735600E-02           5.032702E-05
Cr    S
      1.101664E+07          -1.118844E-06
      1.649423E+06          -8.702790E-06
      3.753589E+05          -4.576974E-05
      1.063236E+05          -1.934803E-04
      3.468976E+04          -7.046922E-04
      1.252483E+04          -2.299139E-03
      4.885752E+03          -6.833193E-03
      2.026918E+03          -1.866493E-02
      8.843645E+02          -4.624835E-02
      4.023170E+02          -1.013820E-01
      1.895271E+02          -1.839390E-01
      9.186095E+01          -2.469356E-01
      4.512476E+01          -1.597390E-01
      2.062512E+01           1.940936E-01
      1.031973E+01           5.461479E-01
      5.157723E+00           3.610571E-01
      2.312628E+00           4.658647E-02
      1.103079E+00          -3.493969E-03
      4.980420E-01           2.600074E-04
      1.182470E-01          -2.440100E-04
      5.735600E-02           3.266435E-04
Cr    S
      1.101664E+07           2.358227E-07
      1.649423E+06           1.836140E-06
      3.753589E+05           9.643686E-06
      1.063236E+05           4.085166E-05
      3.468976E+04           1.485404E-04
      1.252483E+04           4.868639E-04
      4.885752E+03           1.448156E-03
      2.026918E+03           4.010503E-03
      8.843645E+02           1.009579E-02
      4.023170E+02           2.321493E-02
      1.895271E+02           4.524056E-02
      9.186095E+01           7.025001E-02
      4.512476E+01           5.032135E-02
      2.062512E+01          -9.350992E-02
      1.031973E+01          -3.650249E-01
      5.157723E+00          -3.530889E-01
      2.312628E+00           2.829720E-01
      1.103079E+00           7.001955E-01
      4.980420E-01           3.067473E-01
      1.182470E-01           1.083139E-02
      5.735600E-02          -1.458427E-03
Cr    S
      1.101664E+07          -5.343793E-08
      1.649423E+06          -4.166295E-07
      3.753589E+05          -2.183977E-06
      1.063236E+05          -9.275174E-06
      3.468976E+04          -3.361788E-05
      1.252483E+04          -1.106225E-04
      4.885752E+03          -3.275214E-04
      2.026918E+03          -9.122671E-04
      8.843645E+02          -2.281936E-03
      4.023170E+02          -5.294506E-03
      1.895271E+02          -1.022548E-02
      9.186095E+01          -1.618464E-02
      4.512476E+01          -1.124211E-02
      2.062512E+01           2.096236E-02
      1.031973E+01           9.050667E-02
      5.157723E+00           8.642079E-02
      2.312628E+00          -7.853630E-02
      1.103079E+00          -2.526007E-01
      4.980420E-01          -2.133579E-01
      1.182470E-01           3.577908E-01
      5.735600E-02           5.691145E-01
Cr    S
      1.101664E+07          -1.038573E-07
      1.649423E+06          -8.291687E-07
      3.753589E+05          -4.198902E-06
      1.063236E+05          -1.865777E-05
      3.468976E+04          -6.386131E-05
      1.252483E+04          -2.252576E-04
      4.885752E+03          -6.131653E-04
      2.026918E+03          -1.886356E-03
      8.843645E+02          -4.185316E-03
      4.023170E+02          -1.123172E-02
      1.895271E+02          -1.791544E-02
      9.186095E+01          -3.714198E-02
      4.512476E+01          -1.126485E-02
      2.062512E+01           1.522975E-02
      1.031973E+01           2.458640E-01
      5.157723E+00           7.882802E-02
      2.312628E+00          -1.862956E-02
      1.103079E+00          -1.096262E+00
      4.980420E-01           5.510966E-01
      1.182470E-01           1.894727E+00
      5.735600E-02          -1.315773E+00
Cr    S
      1.101664E+07          -1.671645E-07
      1.649423E+06          -1.331951E-06
      3.753589E+05          -6.764614E-06
      1.063236E+05          -2.994507E-05
      3.468976E+04          -1.029930E-04
      1.252483E+04          -3.611865E-04
      4.885752E+03          -9.903414E-04
      2.026918E+03          -3.022002E-03
      8.843645E+02          -6.778242E-03
      4.023170E+02          -1.798719E-02
      1.895271E+02          -2.926094E-02
      9.186095E+01          -5.950832E-02
      4.512476E+01          -2.030054E-02
      2.062512E+01           2.995049E-02
      1.031973E+01           4.202560E-01
      5.157723E+00           1.844826E-01
      2.312628E+00          -4.526654E-01
      1.103079E+00          -1.892157E+00
      4.980420E-01           2.848594E+00
      1.182470E-01          -1.124775E+00
      5.735600E-02          -9.810669E-01
Cr    S
      1.101664E+07          -2.018526E-07
      1.649423E+06          -1.476099E-06
      3.753589E+05          -8.479016E-06
      1.063236E+05          -3.186673E-05
      3.468976E+04          -1.344019E-04
      1.252483E+04          -3.665342E-04
      4.885752E+03          -1.355222E-03
      2.026918E+03          -2.884635E-03
      8.843645E+02          -9.908511E-03
      4.023170E+02          -1.547488E-02
      1.895271E+02          -4.925232E-02
      9.186095E+01          -3.533906E-02
      4.512476E+01          -9.963499E-02
      2.062512E+01           2.140183E-01
      1.031973E+01           2.137561E-01
      5.157723E+00           8.609798E-01
      2.312628E+00          -2.925843E+00
      1.103079E+00           1.966558E+00
      4.980420E-01           7.515651E-01
      1.182470E-01          -4.107397E+00
      5.735600E-02           5.701781E+00
Cr    S
      2.576000E-02           1.000000E+00
Cr    S
      0.0115700              1.0000000
Cr    P
      3.153989E+04           1.100000E-05
      7.460234E+03           1.000000E-04
      2.422622E+03           5.870000E-04
      9.277547E+02           2.667000E-03
      3.948041E+02           9.991000E-03
      1.808027E+02           3.149300E-02
      8.742393E+01           8.326600E-02
      4.403427E+01           1.773280E-01
      2.277704E+01           2.892300E-01
      1.201547E+01           3.296730E-01
      6.411751E+00           2.108870E-01
      3.381136E+00           5.517400E-02
      1.747054E+00           2.230000E-03
      8.850040E-01          -1.284000E-03
      4.330280E-01          -8.540000E-04
      1.734150E-01          -4.600000E-05
      7.260800E-02          -1.200000E-05
Cr    P
      3.153989E+04          -4.000000E-06
      7.460234E+03          -3.500000E-05
      2.422622E+03          -2.030000E-04
      9.277547E+02          -9.260000E-04
      3.948041E+02          -3.487000E-03
      1.808027E+02          -1.114100E-02
      8.742393E+01          -3.012800E-02
      4.403427E+01          -6.648400E-02
      2.277704E+01          -1.128540E-01
      1.201547E+01          -1.367850E-01
      6.411751E+00          -5.005700E-02
      3.381136E+00           1.884690E-01
      1.747054E+00           4.004550E-01
      8.850040E-01           3.843320E-01
      4.330280E-01           1.695200E-01
      1.734150E-01           1.825700E-02
      7.260800E-02          -7.430000E-04
Cr    P
      3.153989E+04           1.000000E-06
      7.460234E+03           8.000000E-06
      2.422622E+03           4.800000E-05
      9.277547E+02           2.180000E-04
      3.948041E+02           8.270000E-04
      1.808027E+02           2.626000E-03
      8.742393E+01           7.172000E-03
      4.403427E+01           1.573800E-02
      2.277704E+01           2.715400E-02
      1.201547E+01           3.263100E-02
      6.411751E+00           1.149300E-02
      3.381136E+00          -5.607700E-02
      1.747054E+00          -1.142520E-01
      8.850040E-01          -1.337370E-01
      4.330280E-01           3.473000E-03
      1.734150E-01           3.451660E-01
      7.260800E-02           5.418440E-01
Cr    P
      3.153989E+04           1.000000E-06
      7.460234E+03           1.000000E-05
      2.422622E+03           6.100000E-05
      9.277547E+02           2.770000E-04
      3.948041E+02           1.041000E-03
      1.808027E+02           3.338000E-03
      8.742393E+01           9.013000E-03
      4.403427E+01           2.001300E-02
      2.277704E+01           3.400000E-02
      1.201547E+01           4.199300E-02
      6.411751E+00           1.380400E-02
      3.381136E+00          -6.627500E-02
      1.747054E+00          -1.461070E-01
      8.850040E-01          -1.694750E-01
      4.330280E-01          -2.858700E-02
      1.734150E-01           5.663070E-01
      7.260800E-02           5.156880E-01
Cr    P
      3.153989E+04           3.000000E-06
      7.460234E+03           2.100000E-05
      2.422622E+03           1.340000E-04
      9.277547E+02           5.590000E-04
      3.948041E+02           2.297000E-03
      1.808027E+02           6.727000E-03
      8.742393E+01           1.999000E-02
      4.403427E+01           3.978900E-02
      2.277704E+01           7.842600E-02
      1.201547E+01           7.988200E-02
      6.411751E+00           6.097200E-02
      3.381136E+00          -2.226880E-01
      1.747054E+00          -3.668130E-01
      8.850040E-01          -4.471090E-01
      4.330280E-01           1.151801E+00
      1.734150E-01           4.413050E-01
      7.260800E-02          -9.140660E-01
Cr    P
      3.153989E+04          -3.000000E-06
      7.460234E+03          -3.100000E-05
      2.422622E+03          -1.500000E-04
      9.277547E+02          -8.150000E-04
      3.948041E+02          -2.583000E-03
      1.808027E+02          -9.813000E-03
      8.742393E+01          -2.211600E-02
      4.403427E+01          -6.029600E-02
      2.277704E+01          -7.818700E-02
      1.201547E+01          -1.674430E-01
      6.411751E+00          -1.352300E-02
      3.381136E+00           3.066960E-01
      1.747054E+00           1.090783E+00
      8.850040E-01          -1.234545E+00
      4.330280E-01          -9.015550E-01
      1.734150E-01           2.048266E+00
      7.260800E-02          -1.103984E+00
Cr    P
      2.991500E-02           1.000000E+00
Cr    P
      0.0123300              1.0000000
Cr    D
      2.680400E+02           3.600000E-04
      8.022230E+01           3.236000E-03
      3.089500E+01           1.615300E-02
      1.324810E+01           5.341800E-02
      6.040770E+00           1.335240E-01
      2.861590E+00           2.386370E-01
      1.355450E+00           3.094550E-01
      6.282480E-01           3.056910E-01
      2.806230E-01           2.182890E-01
      1.186680E-01           8.969300E-02
Cr    D
      2.680400E+02          -4.070000E-04
      8.022230E+01          -3.677000E-03
      3.089500E+01          -1.842200E-02
      1.324810E+01          -6.205000E-02
      6.040770E+00          -1.589460E-01
      2.861590E+00          -2.629000E-01
      1.355450E+00          -2.438830E-01
      6.282480E-01           3.774000E-02
      2.806230E-01           4.270640E-01
      1.186680E-01           4.428120E-01
Cr    D
      2.680400E+02          -5.820000E-04
      8.022230E+01          -5.276000E-03
      3.089500E+01          -2.672300E-02
      1.324810E+01          -9.201200E-02
      6.040770E+00          -2.423410E-01
      2.861590E+00          -3.383560E-01
      1.355450E+00          -1.388600E-02
      6.282480E-01           6.731700E-01
      2.806230E-01           2.610890E-01
      1.186680E-01          -6.613960E-01
Cr    D
      2.680400E+02           8.280000E-04
      8.022230E+01           8.072000E-03
      3.089500E+01           3.896000E-02
      1.324810E+01           1.497060E-01
      6.040770E+00           3.879330E-01
      2.861590E+00           2.970340E-01
      1.355450E+00          -8.758060E-01
      6.282480E-01          -2.958520E-01
      2.806230E-01           1.204424E+00
      1.186680E-01          -5.298930E-01
Cr    D
      4.593100E-02           1.000000E+00
Cr    D
      0.0177800              1.0000000
Cr    F
      3.761100E+00           1.000000E+00
Cr    F
      1.092800E+00           1.000000E+00
Cr    F
      3.175000E-01           1.000000E+00
Cr    F
      0.1037300              1.0000000
Cr    G
      2.614300E+00           1.000000E+00
Cr    G
      6.951000E-01           1.000000E+00
Cr    G
      0.2454500              1.0000000
Cr    H
      1.677500E+00           1.0000000
Cr    H
      0.6329200              1.0000000
end
basis "Mn_aug-cc-pv(q+d)z" 
#basis SET: (149s,104p,42d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Mn    S
      1.221050E+07           2.018537E-06
      1.828157E+06           1.569638E-05
      4.160303E+05           8.257853E-05
      1.178436E+05           3.488107E-04
      3.844814E+04           1.270414E-03
      1.388171E+04           4.133905E-03
      5.415002E+03           1.224366E-02
      2.246460E+03           3.306040E-02
      9.801463E+02           8.019877E-02
      4.458952E+02           1.671550E-01
      2.100558E+02           2.743977E-01
      1.018046E+02           2.963690E-01
      5.001126E+01           1.592852E-01
      2.293939E+01           5.681818E-02
      1.152264E+01           8.278990E-02
      5.776338E+00           5.840628E-02
      2.625959E+00           7.343047E-03
      1.260322E+00          -2.934793E-04
      5.771300E-01          -4.562245E-05
      1.365820E-01          -9.934988E-06
      6.353500E-02           2.391143E-05
Mn    S
      1.221050E+07          -9.633574E-07
      1.828157E+06          -7.493672E-06
      4.160303E+05          -3.941004E-05
      1.178436E+05          -1.666155E-04
      3.844814E+04          -6.069041E-04
      1.388171E+04          -1.981108E-03
      5.415002E+03          -5.893486E-03
      2.246460E+03          -1.613849E-02
      9.801463E+02          -4.018929E-02
      4.458952E+02          -8.903423E-02
      2.100558E+02          -1.646993E-01
      1.018046E+02          -2.288840E-01
      5.001126E+01          -1.560684E-01
      2.293939E+01           1.882585E-01
      1.152264E+01           5.512725E-01
      5.776338E+00           3.755111E-01
      2.625959E+00           5.061607E-02
      1.260322E+00          -4.926193E-03
      5.771300E-01          -6.126838E-04
      1.365820E-01          -2.821975E-04
      6.353500E-02           3.009192E-04
Mn    S
      1.221050E+07           2.316977E-07
      1.828157E+06           1.803633E-06
      4.160303E+05           9.476176E-06
      1.178436E+05           4.012553E-05
      3.844814E+04           1.459870E-04
      1.388171E+04           4.782368E-04
      5.415002E+03           1.424063E-03
      2.246460E+03           3.942807E-03
      9.801463E+02           9.952411E-03
      4.458952E+02           2.292420E-02
      2.100558E+02           4.501638E-02
      1.018046E+02           7.048742E-02
      5.001126E+01           5.291064E-02
      2.293939E+01          -8.983951E-02
      1.152264E+01          -3.626155E-01
      5.776338E+00          -3.621266E-01
      2.625959E+00           2.656979E-01
      1.260322E+00           6.892091E-01
      5.771300E-01           3.337072E-01
      1.365820E-01           1.594677E-02
      6.353500E-02          -4.614546E-03
Mn    S
      1.221050E+07          -5.127786E-08
      1.828157E+06          -3.991995E-07
      4.160303E+05          -2.097137E-06
      1.178436E+05          -8.881375E-06
      3.844814E+04          -3.230705E-05
      1.388171E+04          -1.058611E-04
      5.415002E+03          -3.151614E-04
      2.246460E+03          -8.730066E-04
      9.801463E+02          -2.203528E-03
      4.458952E+02          -5.081761E-03
      2.100558E+02          -9.988834E-03
      1.018046E+02          -1.570961E-02
      5.001126E+01          -1.183955E-02
      2.293939E+01           2.031039E-02
      1.152264E+01           8.593055E-02
      5.776338E+00           8.897427E-02
      2.625959E+00          -7.678891E-02
      1.260322E+00          -2.261750E-01
      5.771300E-01          -2.271869E-01
      1.365820E-01           3.003127E-01
      6.353500E-02           5.953419E-01
Mn    S
      1.221050E+07          -1.017421E-07
      1.828157E+06          -8.110718E-07
      4.160303E+05          -4.116344E-06
      1.178436E+05          -1.823899E-05
      3.844814E+04          -6.265924E-05
      1.388171E+04          -2.200741E-04
      5.415002E+03          -6.024678E-04
      2.246460E+03          -1.843000E-03
      9.801463E+02          -4.127938E-03
      4.458952E+02          -1.100471E-02
      2.100558E+02          -1.790120E-02
      1.018046E+02          -3.676227E-02
      5.001126E+01          -1.301427E-02
      2.293939E+01           1.478153E-02
      1.152264E+01           2.391713E-01
      5.776338E+00           8.964957E-02
      2.625959E+00          -1.299627E-02
      1.260322E+00          -1.051330E+00
      5.771300E-01           4.478536E-01
      1.365820E-01           1.804806E+00
      6.353500E-02          -1.071026E+00
Mn    S
      1.221050E+07          -1.642320E-07
      1.828157E+06          -1.314241E-06
      4.160303E+05          -6.632840E-06
      1.178436E+05          -2.960420E-05
      3.844814E+04          -1.007673E-04
      1.388171E+04          -3.579039E-04
      5.415002E+03          -9.666897E-04
      2.246460E+03          -3.005179E-03
      9.801463E+02          -6.605816E-03
      4.458952E+02          -1.803820E-02
      2.100558E+02          -2.853084E-02
      1.018046E+02          -6.124413E-02
      5.001126E+01          -1.893791E-02
      2.293939E+01           1.888653E-02
      1.152264E+01           4.329357E-01
      5.776338E+00           1.661622E-01
      2.625959E+00          -3.401427E-01
      1.260322E+00          -2.039320E+00
      5.771300E-01           2.794661E+00
      1.365820E-01          -7.303582E-01
      6.353500E-02          -1.408003E+00
Mn    S
      1.221050E+07          -2.001522E-07
      1.828157E+06          -1.478765E-06
      4.160303E+05          -8.372432E-06
      1.178436E+05          -3.208892E-05
      3.844814E+04          -1.321413E-04
      1.388171E+04          -3.714493E-04
      5.415002E+03          -1.326456E-03
      2.246460E+03          -2.951265E-03
      9.801463E+02          -9.655762E-03
      4.458952E+02          -1.616919E-02
      2.100558E+02          -4.776647E-02
      1.018046E+02          -4.049212E-02
      5.001126E+01          -9.389925E-02
      2.293939E+01           1.920182E-01
      1.152264E+01           2.440487E-01
      5.776338E+00           8.589060E-01
      2.625959E+00          -2.793145E+00
      1.260322E+00           1.564069E+00
      5.771300E-01           1.118462E+00
      1.365820E-01          -4.054664E+00
      6.353500E-02           5.462054E+00
Mn    S
      2.852100E-02           1.000000E+00
Mn    S
      0.0128000              1.0000000
Mn    P
      3.500512E+04           1.100000E-05
      8.279462E+03           9.800000E-05
      2.688465E+03           5.720000E-04
      1.029490E+03           2.604000E-03
      4.380708E+02           9.779000E-03
      2.006153E+02           3.093800E-02
      9.700769E+01           8.219400E-02
      4.887052E+01           1.761490E-01
      2.529281E+01           2.891330E-01
      1.335382E+01           3.309560E-01
      7.131786E+00           2.122180E-01
      3.764365E+00           5.522700E-02
      1.946265E+00           1.207000E-03
      9.854550E-01          -2.355000E-03
      4.818650E-01          -1.320000E-03
      1.892120E-01          -9.400000E-05
      7.798000E-02          -7.000000E-06
Mn    P
      3.500512E+04          -4.000000E-06
      8.279462E+03          -3.400000E-05
      2.688465E+03          -1.990000E-04
      1.029490E+03          -9.070000E-04
      4.380708E+02          -3.425000E-03
      2.006153E+02          -1.098500E-02
      9.700769E+01          -2.985600E-02
      4.887052E+01          -6.636600E-02
      2.529281E+01          -1.135040E-01
      1.335382E+01          -1.379910E-01
      7.131786E+00          -4.935500E-02
      3.764365E+00           1.912420E-01
      1.946265E+00           4.023550E-01
      9.854550E-01           3.821160E-01
      4.818650E-01           1.681990E-01
      1.892120E-01           1.790500E-02
      7.798000E-02          -9.580000E-04
Mn    P
      3.500512E+04          -1.000000E-06
      8.279462E+03          -8.000000E-06
      2.688465E+03          -4.600000E-05
      1.029490E+03          -2.080000E-04
      4.380708E+02          -7.920000E-04
      2.006153E+02          -2.522000E-03
      9.700769E+01          -6.928000E-03
      4.887052E+01          -1.529200E-02
      2.529281E+01          -2.661100E-02
      1.335382E+01          -3.197800E-02
      7.131786E+00          -1.122200E-02
      3.764365E+00           5.498800E-02
      1.946265E+00           1.104650E-01
      9.854550E-01           1.281620E-01
      4.818650E-01          -2.980000E-03
      1.892120E-01          -3.368240E-01
      7.798000E-02          -5.424410E-01
Mn    P
      3.500512E+04           1.000000E-06
      8.279462E+03           1.000000E-05
      2.688465E+03           6.100000E-05
      1.029490E+03           2.780000E-04
      4.380708E+02           1.052000E-03
      2.006153E+02           3.366000E-03
      9.700769E+01           9.193000E-03
      4.887052E+01           2.040400E-02
      2.529281E+01           3.527700E-02
      1.335382E+01           4.298600E-02
      7.131786E+00           1.478300E-02
      3.764365E+00          -7.085100E-02
      1.946265E+00          -1.488630E-01
      9.854550E-01          -1.726610E-01
      4.818650E-01          -4.857000E-03
      1.892120E-01           5.718810E-01
      7.798000E-02           5.013280E-01
Mn    P
      3.500512E+04           3.000000E-06
      8.279462E+03           2.100000E-05
      2.688465E+03           1.380000E-04
      1.029490E+03           5.680000E-04
      4.380708E+02           2.368000E-03
      2.006153E+02           6.887000E-03
      9.700769E+01           2.080500E-02
      4.887052E+01           4.120700E-02
      2.529281E+01           8.294900E-02
      1.335382E+01           8.233000E-02
      7.131786E+00           6.764900E-02
      3.764365E+00          -2.505870E-01
      1.946265E+00          -3.787840E-01
      9.854550E-01          -3.965170E-01
      4.818650E-01           1.150112E+00
      1.892120E-01           3.830850E-01
      7.798000E-02          -8.923280E-01
Mn    P
      3.500512E+04          -3.000000E-06
      8.279462E+03          -3.200000E-05
      2.688465E+03          -1.650000E-04
      1.029490E+03          -8.520000E-04
      4.380708E+02          -2.864000E-03
      2.006153E+02          -1.033800E-02
      9.700769E+01          -2.492000E-02
      4.887052E+01          -6.390800E-02
      2.529281E+01          -9.170400E-02
      1.335382E+01          -1.688330E-01
      7.131786E+00          -4.571700E-02
      3.764365E+00           4.475430E-01
      1.946265E+00           1.044544E+00
      9.854550E-01          -1.485721E+00
      4.818650E-01          -5.306040E-01
      1.892120E-01           1.821718E+00
      7.798000E-02          -1.068450E+00
Mn    P
      3.168500E-02           1.000000E+00
Mn    P
      0.0128700              1.0000000
Mn    D
      3.014270E+02           3.610000E-04
      9.032880E+01           3.259000E-03
      3.483370E+01           1.641900E-02
      1.497700E+01           5.476000E-02
      6.849830E+00           1.367270E-01
      3.252170E+00           2.424190E-01
      1.543090E+00           3.103760E-01
      7.156410E-01           3.021700E-01
      3.193230E-01           2.135730E-01
      1.344280E-01           8.909400E-02
Mn    D
      3.014270E+02          -3.670000E-04
      9.032880E+01          -3.331000E-03
      3.483370E+01          -1.681300E-02
      1.497700E+01          -5.692900E-02
      6.849830E+00          -1.457700E-01
      3.252170E+00          -2.466730E-01
      1.543090E+00          -2.342270E-01
      7.156410E-01           2.332000E-02
      3.193230E-01           3.875770E-01
      1.344280E-01           4.676950E-01
Mn    D
      3.014270E+02          -5.810000E-04
      9.032880E+01          -5.304000E-03
      3.483370E+01          -2.701900E-02
      1.497700E+01          -9.406700E-02
      6.849830E+00          -2.469380E-01
      3.252170E+00          -3.420510E-01
      1.543090E+00          -1.462100E-02
      7.156410E-01           6.120700E-01
      3.193230E-01           3.201120E-01
      1.344280E-01          -5.609790E-01
Mn    D
      3.014270E+02          -7.460000E-04
      9.032880E+01          -6.858000E-03
      3.483370E+01          -3.503600E-02
      1.497700E+01          -1.265920E-01
      6.849830E+00          -3.598640E-01
      3.252170E+00          -3.065310E-01
      1.543090E+00           7.526320E-01
      7.156410E-01           4.176590E-01
      3.193230E-01          -1.072832E+00
      1.344280E-01           2.000430E-01
Mn    D
      5.157000E-02           1.000000E+00
Mn    D
      0.0197800              1.0000000
Mn    F
      4.464600E+00           1.000000E+00
Mn    F
      1.313300E+00           1.000000E+00
Mn    F
      3.863000E-01           1.000000E+00
Mn    F
      0.1282900              1.0000000
Mn    G
      3.166800E+00           1.000000E+00
Mn    G
      8.651000E-01           1.000000E+00
Mn    G
      0.3184100              1.0000000
Mn    H
      2.000300E+00           1.0000000
Mn    H
      0.7767100              1.0000000
end
basis "Fe_aug-cc-pv(q+d)z" 
#basis SET: (149s,104p,42d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Fe    S
      1.327714E+07           1.976511E-06
      1.987888E+06           1.536912E-05
      4.523871E+05           8.085571E-05
      1.281437E+05           3.415253E-04
      4.180917E+04           1.243883E-03
      1.509533E+04           4.047547E-03
      5.888438E+03           1.198848E-02
      2.442876E+03           3.237358E-02
      1.065857E+03           7.854828E-02
      4.849096E+02           1.637396E-01
      2.284585E+02           2.687335E-01
      1.107453E+02           2.896317E-01
      5.443116E+01           1.554235E-01
      2.501096E+01           6.284331E-02
      1.259262E+01           9.927972E-02
      6.323202E+00           6.931444E-02
      2.883384E+00           8.885666E-03
      1.382868E+00          -2.776200E-04
      6.322010E-01           1.271590E-06
      1.492380E-01          -1.537759E-05
      6.849400E-02           2.552339E-05
Fe    S
      1.327714E+07          -1.020185E-06
      1.987888E+06          -7.935347E-06
      4.523871E+05          -4.173309E-05
      1.281437E+05          -1.764249E-04
      4.180917E+04          -6.426379E-04
      1.509533E+04          -2.097440E-03
      5.888438E+03          -6.238750E-03
      2.442876E+03          -1.707492E-02
      1.065857E+03          -4.248570E-02
      4.849096E+02          -9.392294E-02
      2.284585E+02          -1.730554E-01
      1.107453E+02          -2.386626E-01
      5.443116E+01          -1.623971E-01
      2.501096E+01           1.869345E-01
      1.259262E+01           5.495686E-01
      6.323202E+00           3.723118E-01
      2.883384E+00           5.057065E-02
      1.382868E+00          -4.072645E-03
      6.322010E-01          -2.732199E-04
      1.492380E-01          -2.612296E-04
      6.849400E-02           2.547393E-04
Fe    S
      1.327714E+07           2.340322E-07
      1.987888E+06           1.821727E-06
      4.523871E+05           9.571315E-06
      1.281437E+05           4.052652E-05
      4.180917E+04           1.474531E-04
      1.509533E+04           4.830333E-04
      5.888438E+03           1.438609E-03
      2.442876E+03           3.983915E-03
      1.065857E+03           1.006355E-02
      4.849096E+02           2.320610E-02
      2.284585E+02           4.566780E-02
      1.107453E+02           7.169322E-02
      5.443116E+01           5.421018E-02
      2.501096E+01          -9.163776E-02
      1.259262E+01          -3.693219E-01
      6.323202E+00          -3.616033E-01
      2.883384E+00           2.734191E-01
      1.382868E+00           6.889090E-01
      6.322010E-01           3.294179E-01
      1.492380E-01           1.558687E-02
      6.849400E-02          -4.161049E-03
Fe    S
      1.327714E+07          -5.062297E-08
      1.987888E+06          -3.940586E-07
      4.523871E+05          -2.070340E-06
      1.281437E+05          -8.766406E-06
      4.180917E+04          -3.189537E-05
      1.509533E+04          -1.044911E-04
      5.888438E+03          -3.112113E-04
      2.442876E+03          -8.620181E-04
      1.065857E+03          -2.178129E-03
      4.849096E+02          -5.026970E-03
      2.284585E+02          -9.908113E-03
      1.107453E+02          -1.561357E-02
      5.443116E+01          -1.187731E-02
      2.501096E+01           2.031246E-02
      1.259262E+01           8.560291E-02
      6.323202E+00           8.702717E-02
      2.883384E+00          -7.758197E-02
      1.382868E+00          -2.214919E-01
      6.322010E-01          -2.196263E-01
      1.492380E-01           2.869893E-01
      6.849400E-02           5.927434E-01
Fe    S
      1.327714E+07          -9.957952E-08
      1.987888E+06          -7.925506E-07
      4.523871E+05          -4.031635E-06
      1.281437E+05          -1.780938E-05
      4.180917E+04          -6.142010E-05
      1.509533E+04          -2.147300E-04
      5.888438E+03          -5.912544E-04
      2.442876E+03          -1.797193E-03
      1.065857E+03          -4.061089E-03
      4.849096E+02          -1.073419E-02
      2.284585E+02          -1.773464E-02
      1.107453E+02          -3.586338E-02
      5.443116E+01          -1.374002E-02
      2.501096E+01           1.645324E-02
      1.259262E+01           2.322749E-01
      6.323202E+00           9.256802E-02
      2.883384E+00          -3.322957E-02
      1.382868E+00          -9.860290E-01
      6.322010E-01           4.046445E-01
      1.492380E-01           1.688889E+00
      6.849400E-02          -8.479093E-01
Fe    S
      1.327714E+07          -1.678013E-07
      1.987888E+06          -1.337004E-06
      4.523871E+05          -6.790249E-06
      1.281437E+05          -3.005871E-05
      4.180917E+04          -1.033899E-04
      1.509533E+04          -3.626365E-04
      5.888438E+03          -9.947359E-04
      2.442876E+03          -3.038134E-03
      1.065857E+03          -6.831095E-03
      4.849096E+02          -1.819172E-02
      2.284585E+02          -2.987575E-02
      1.107453E+02          -6.129076E-02
      5.443116E+01          -2.302594E-02
      2.501096E+01           2.701671E-02
      1.259262E+01           4.229967E-01
      6.323202E+00           2.153088E-01
      2.883384E+00          -4.343164E-01
      1.382868E+00          -1.950348E+00
      6.322010E-01           2.720233E+00
      1.492380E-01          -6.123241E-01
      6.849400E-02          -1.468329E+00
Fe    S
      1.327714E+07          -1.979190E-07
      1.987888E+06          -1.454458E-06
      4.523871E+05          -8.296892E-06
      1.281437E+05          -3.147678E-05
      4.180917E+04          -1.312505E-04
      1.509533E+04          -3.631851E-04
      5.888438E+03          -1.321103E-03
      2.442876E+03          -2.874345E-03
      1.065857E+03          -9.655667E-03
      4.849096E+02          -1.565078E-02
      2.284585E+02          -4.818210E-02
      1.107453E+02          -3.801945E-02
      5.443116E+01          -9.789664E-02
      2.501096E+01           1.990898E-01
      1.259262E+01           2.020013E-01
      6.323202E+00           9.776064E-01
      2.883384E+00          -3.003579E+00
      1.382868E+00           1.801662E+00
      6.322010E-01           9.747971E-01
      1.492380E-01          -3.897557E+00
      6.849400E-02           5.227909E+00
Fe    S
      3.038100E-02           1.000000E+00
Fe    S
      0.0134800              1.0000000
Fe    P
      3.828205E+04           1.100000E-05
      9.061556E+03           9.700000E-05
      2.944450E+03           5.660000E-04
      1.128158E+03           2.575000E-03
      4.803380E+02           9.676000E-03
      2.201368E+02           3.064400E-02
      1.065482E+02           8.155300E-02
      5.374262E+01           1.752450E-01
      2.786318E+01           2.884650E-01
      1.474382E+01           3.307340E-01
      7.893351E+00           2.127700E-01
      4.179497E+00           5.620300E-02
      2.165669E+00           1.807000E-03
      1.097240E+00          -1.999000E-03
      5.360850E-01          -1.155000E-03
      2.023740E-01          -7.900000E-05
      8.174200E-02          -3.000000E-06
Fe    P
      3.828205E+04          -4.000000E-06
      9.061556E+03          -3.400000E-05
      2.944450E+03          -1.990000E-04
      1.128158E+03          -9.110000E-04
      4.803380E+02          -3.437000E-03
      2.201368E+02          -1.104200E-02
      1.065482E+02          -3.006100E-02
      5.374262E+01          -6.704900E-02
      2.786318E+01          -1.150700E-01
      1.474382E+01          -1.399170E-01
      7.893351E+00          -4.948000E-02
      4.179497E+00           1.917090E-01
      2.165669E+00           4.030120E-01
      1.097240E+00           3.807170E-01
      5.360850E-01           1.693050E-01
      2.023740E-01           1.787200E-02
      8.174200E-02          -1.433000E-03
Fe    P
      3.828205E+04           1.000000E-06
      9.061556E+03           7.000000E-06
      2.944450E+03           4.400000E-05
      1.128158E+03           1.970000E-04
      4.803380E+02           7.510000E-04
      2.201368E+02           2.391000E-03
      1.065482E+02           6.595000E-03
      5.374262E+01           1.457000E-02
      2.786318E+01           2.552900E-02
      1.474382E+01           3.048500E-02
      7.893351E+00           1.085300E-02
      4.179497E+00          -5.238500E-02
      2.165669E+00          -1.032710E-01
      1.097240E+00          -1.212410E-01
      5.360850E-01           8.400000E-04
      2.023740E-01           3.272880E-01
      8.174200E-02           5.442260E-01
Fe    P
      3.828205E+04           1.000000E-06
      9.061556E+03           1.100000E-05
      2.944450E+03           6.600000E-05
      1.128158E+03           2.950000E-04
      4.803380E+02           1.134000E-03
      2.201368E+02           3.585000E-03
      1.065482E+02           9.950000E-03
      5.374262E+01           2.181000E-02
      2.786318E+01           3.866100E-02
      1.474382E+01           4.562800E-02
      7.893351E+00           1.795800E-02
      4.179497E+00          -8.159300E-02
      2.165669E+00          -1.581940E-01
      1.097240E+00          -1.890710E-01
      5.360850E-01           4.462100E-02
      2.023740E-01           6.116920E-01
      8.174200E-02           4.461700E-01
Fe    P
      3.828205E+04           3.000000E-06
      9.061556E+03           2.200000E-05
      2.944450E+03           1.470000E-04
      1.128158E+03           5.980000E-04
      4.803380E+02           2.527000E-03
      2.201368E+02           7.260000E-03
      1.065482E+02           2.230000E-02
      5.374262E+01           4.359200E-02
      2.786318E+01           8.982400E-02
      1.474382E+01           8.632800E-02
      7.893351E+00           7.970000E-02
      4.179497E+00          -2.943090E-01
      2.165669E+00          -4.046430E-01
      1.097240E+00          -3.242020E-01
      5.360850E-01           1.189837E+00
      2.023740E-01           2.280980E-01
      8.174200E-02          -8.474340E-01
Fe    P
      3.828205E+04          -3.000000E-06
      9.061556E+03          -3.300000E-05
      2.944450E+03          -1.780000E-04
      1.128158E+03          -8.800000E-04
      4.803380E+02          -3.075000E-03
      2.201368E+02          -1.071400E-02
      1.065482E+02          -2.695300E-02
      5.374262E+01          -6.627900E-02
      2.786318E+01          -1.011440E-01
      1.474382E+01          -1.704670E-01
      7.893351E+00          -8.377500E-02
      4.179497E+00           6.056490E-01
      2.165669E+00           9.572390E-01
      1.097240E+00          -1.734836E+00
      5.360850E-01          -9.786500E-02
      2.023740E-01           1.574813E+00
      8.174200E-02          -1.081817E+00
Fe    P
      3.266200E-02           1.000000E+00
Fe    P
      0.0130500              1.0000000
Fe    D
      3.385060E+02           3.560000E-04
      1.014920E+02           3.229000E-03
      3.918670E+01           1.641400E-02
      1.690340E+01           5.513300E-02
      7.762960E+00           1.375020E-01
      3.698870E+00           2.425950E-01
      1.759630E+00           3.085230E-01
      8.166510E-01           2.998140E-01
      3.638210E-01           2.150480E-01
      1.525410E-01           9.257700E-02
Fe    D
      3.385060E+02          -3.910000E-04
      1.014920E+02          -3.576000E-03
      3.918670E+01          -1.819100E-02
      1.690340E+01          -6.209000E-02
      7.762960E+00          -1.592870E-01
      3.698870E+00          -2.697760E-01
      1.759630E+00          -2.389970E-01
      8.166510E-01           6.198500E-02
      3.638210E-01           4.136570E-01
      1.525410E-01           4.348780E-01
Fe    D
      3.385060E+02          -5.650000E-04
      1.014920E+02          -5.185000E-03
      3.918670E+01          -2.661100E-02
      1.690340E+01          -9.307900E-02
      7.762960E+00          -2.482970E-01
      3.698870E+00          -3.498230E-01
      1.759630E+00           3.692200E-02
      8.166510E-01           6.494720E-01
      3.638210E-01           2.342380E-01
      1.525410E-01          -6.097450E-01
Fe    D
      3.385060E+02          -8.160000E-04
      1.014920E+02          -7.124000E-03
      3.918670E+01          -3.856000E-02
      1.690340E+01          -1.335670E-01
      7.762960E+00          -4.152110E-01
      3.698870E+00          -2.793690E-01
      1.759630E+00           9.276650E-01
      8.166510E-01           1.855890E-01
      3.638210E-01          -1.079616E+00
      1.525410E-01           4.197090E-01
Fe    D
      5.799100E-02           1.000000E+00
Fe    D
      0.0220500              1.0000000
Fe    F
      5.198200E+00           1.000000E+00
Fe    F
      1.550400E+00           1.000000E+00
Fe    F
      4.624000E-01           1.000000E+00
Fe    F
      0.1551400              1.0000000
Fe    G
      3.794400E+00           1.000000E+00
Fe    G
      1.066800E+00           1.000000E+00
Fe    G
      0.4073800              1.0000000
Fe    H
      2.384200E+00           1.0000000
Fe    H
      0.9587800              1.0000000
end
basis "Co_aug-cc-pv(q+d)z" 
#basis SET: (149s,104p,42d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Co    S
      1.437022E+07           1.961579E-06
      2.151540E+06           1.525308E-05
      4.896257E+05           8.024671E-05
      1.386903E+05           3.389582E-04
      4.524989E+04           1.234551E-03
      1.633762E+04           4.017237E-03
      6.373073E+03           1.189936E-02
      2.643958E+03           3.213721E-02
      1.153614E+03           7.799970E-02
      5.248606E+02           1.626825E-01
      2.473069E+02           2.671849E-01
      1.199063E+02           2.881411E-01
      5.896429E+01           1.548301E-01
      2.713616E+01           6.451896E-02
      1.368912E+01           1.030728E-01
      6.882771E+00           7.137991E-02
      3.144647E+00           9.131332E-03
      1.506266E+00          -2.919679E-04
      6.872680E-01          -5.581488E-06
      1.609720E-01          -1.732351E-05
      7.301700E-02           2.132347E-05
Co    S
      1.437022E+07          -1.032046E-06
      2.151540E+06          -8.027614E-06
      4.896257E+05          -4.221930E-05
      1.386903E+05          -1.784817E-04
      4.524989E+04          -6.501411E-04
      1.633762E+04          -2.121909E-03
      6.373073E+03          -6.311755E-03
      2.643958E+03          -1.727558E-02
      1.153614E+03          -4.299353E-02
      5.248606E+02          -9.507125E-02
      2.473069E+02          -1.752212E-01
      1.199063E+02          -2.416127E-01
      5.896429E+01          -1.645933E-01
      2.713616E+01           1.880060E-01
      1.368912E+01           5.505157E-01
      6.882771E+00           3.701682E-01
      3.144647E+00           5.007243E-02
      1.506266E+00          -3.975686E-03
      6.872680E-01          -2.896409E-04
      1.609720E-01          -2.552515E-04
      7.301700E-02           2.182807E-04
Co    S
      1.437022E+07           2.357772E-07
      2.151540E+06           1.835300E-06
      4.896257E+05           9.642951E-06
      1.386903E+05           4.082978E-05
      4.524989E+04           1.485630E-04
      1.633762E+04           4.866688E-04
      6.373073E+03           1.449618E-03
      2.643958E+03           4.015116E-03
      1.153614E+03           1.014820E-02
      5.248606E+02           2.342321E-02
      2.473069E+02           4.617220E-02
      1.199063E+02           7.262205E-02
      5.896429E+01           5.512470E-02
      2.713616E+01          -9.356803E-02
      1.368912E+01          -3.752066E-01
      6.882771E+00          -3.595010E-01
      3.144647E+00           2.821187E-01
      1.506266E+00           6.882851E-01
      6.872680E-01           3.243680E-01
      1.609720E-01           1.501498E-02
      7.301700E-02          -3.906005E-03
Co    S
      1.437022E+07          -4.983880E-08
      2.151540E+06          -3.879304E-07
      4.896257E+05          -2.038379E-06
      1.386903E+05          -8.630129E-06
      4.524989E+04          -3.140519E-05
      1.633762E+04          -1.028682E-04
      6.373073E+03          -3.064776E-04
      2.643958E+03          -8.488581E-04
      1.153614E+03          -2.146732E-03
      5.248606E+02          -4.957499E-03
      2.473069E+02          -9.792183E-03
      1.199063E+02          -1.545065E-02
      5.896429E+01          -1.181794E-02
      2.713616E+01           2.031574E-02
      1.368912E+01           8.494754E-02
      6.882771E+00           8.455870E-02
      3.144647E+00          -7.824438E-02
      1.506266E+00          -2.161403E-01
      6.872680E-01          -2.120657E-01
      1.609720E-01           2.777048E-01
      7.301700E-02           5.886342E-01
Co    S
      1.437022E+07          -9.633772E-08
      2.151540E+06          -7.654083E-07
      4.896257E+05          -3.903640E-06
      1.386903E+05          -1.718665E-05
      4.524989E+04          -5.952640E-05
      1.633762E+04          -2.070482E-04
      6.373073E+03          -5.737293E-04
      2.643958E+03          -1.731567E-03
      1.153614E+03          -3.950029E-03
      5.248606E+02          -1.033969E-02
      2.473069E+02          -1.736027E-02
      1.199063E+02          -3.449074E-02
      5.896429E+01          -1.422040E-02
      2.713616E+01           1.816713E-02
      1.368912E+01           2.219044E-01
      6.882771E+00           9.496945E-02
      3.144647E+00          -5.356770E-02
      1.506266E+00          -9.071045E-01
      6.872680E-01           3.491874E-01
      1.609720E-01           1.586689E+00
      7.301700E-02          -6.425986E-01
Co    S
      1.437022E+07          -1.733620E-07
      2.151540E+06          -1.376434E-06
      4.896257E+05          -7.026909E-06
      1.386903E+05          -3.089757E-05
      4.524989E+04          -1.071929E-04
      1.633762E+04          -3.721161E-04
      6.373073E+03          -1.033758E-03
      2.643958E+03          -3.111602E-03
      1.153614E+03          -7.127428E-03
      5.248606E+02          -1.859372E-02
      2.473069E+02          -3.148302E-02
      1.199063E+02          -6.222078E-02
      5.896429E+01          -2.684359E-02
      2.713616E+01           3.499360E-02
      1.368912E+01           4.220093E-01
      6.882771E+00           2.573147E-01
      3.144647E+00          -5.363089E-01
      1.506266E+00          -1.856112E+00
      6.872680E-01           2.651475E+00
      1.609720E-01          -5.228775E-01
      7.301700E-02          -1.483086E+00
Co    S
      1.437022E+07          -1.968109E-07
      2.151540E+06          -1.439789E-06
      4.896257E+05          -8.265947E-06
      1.386903E+05          -3.108989E-05
      4.524989E+04          -1.310184E-04
      1.633762E+04          -3.577366E-04
      6.373073E+03          -1.321726E-03
      2.643958E+03          -2.821630E-03
      1.153614E+03          -9.692646E-03
      5.248606E+02          -1.528143E-02
      2.473069E+02          -4.871094E-02
      1.199063E+02          -3.611465E-02
      5.896429E+01          -1.014559E-01
      2.713616E+01           2.059185E-01
      1.368912E+01           1.740209E-01
      6.882771E+00           1.061896E+00
      3.144647E+00          -3.187512E+00
      1.506266E+00           2.052730E+00
      6.872680E-01           7.962451E-01
      1.609720E-01          -3.730949E+00
      7.301700E-02           5.018110E+00
Co    S
      3.207100E-02           1.000000E+00
Co    S
      0.0140900              1.0000000
Co    P
      4.196140E+04           1.100000E-05
      9.928306E+03           9.500000E-05
      3.224971E+03           5.570000E-04
      1.235293E+03           2.538000E-03
      5.258469E+02           9.554000E-03
      2.409762E+02           3.033500E-02
      1.166418E+02           8.098400E-02
      5.884834E+01           1.746920E-01
      3.052910E+01           2.885440E-01
      1.616943E+01           3.311360E-01
      8.664236E+00           2.128970E-01
      4.591943E+00           5.629500E-02
      2.381048E+00           1.895000E-03
      1.206246E+00          -1.955000E-03
      5.888220E-01          -1.126000E-03
      2.246580E-01          -7.400000E-05
      9.043600E-02          -3.000000E-06
Co    P
      4.196140E+04          -4.000000E-06
      9.928306E+03          -3.400000E-05
      3.224971E+03          -1.980000E-04
      1.235293E+03          -9.060000E-04
      5.258469E+02          -3.428000E-03
      2.409762E+02          -1.103900E-02
      1.166418E+02          -3.015700E-02
      5.884834E+01          -6.754900E-02
      3.052910E+01          -1.164660E-01
      1.616943E+01          -1.414410E-01
      8.664236E+00          -4.871700E-02
      4.591943E+00           1.946550E-01
      2.381048E+00           4.041480E-01
      1.206246E+00           3.789040E-01
      5.888220E-01           1.673060E-01
      2.246580E-01           1.771900E-02
      9.043600E-02          -1.252000E-03
Co    P
      4.196140E+04           1.000000E-06
      9.928306E+03           7.000000E-06
      3.224971E+03           4.400000E-05
      1.235293E+03           1.990000E-04
      5.258469E+02           7.600000E-04
      2.409762E+02           2.425000E-03
      1.166418E+02           6.706000E-03
      5.884834E+01           1.489000E-02
      3.052910E+01           2.618100E-02
      1.616943E+01           3.131000E-02
      8.664236E+00           1.084800E-02
      4.591943E+00          -5.386200E-02
      2.381048E+00          -1.061120E-01
      1.206246E+00          -1.217750E-01
      5.888220E-01           3.863000E-03
      2.246580E-01           3.271980E-01
      9.043600E-02           5.419610E-01
Co    P
      4.196140E+04           1.000000E-06
      9.928306E+03           1.100000E-05
      3.224971E+03           6.900000E-05
      1.235293E+03           3.080000E-04
      5.258469E+02           1.187000E-03
      2.409762E+02           3.760000E-03
      1.166418E+02           1.047800E-02
      5.884834E+01           2.305800E-02
      3.052910E+01           4.109500E-02
      1.616943E+01           4.852900E-02
      8.664236E+00           1.882100E-02
      4.591943E+00          -8.898300E-02
      2.381048E+00          -1.710610E-01
      1.206246E+00          -1.897640E-01
      5.888220E-01           7.187400E-02
      2.246580E-01           6.049170E-01
      9.043600E-02           4.357830E-01
Co    P
      4.196140E+04           3.000000E-06
      9.928306E+03           2.300000E-05
      3.224971E+03           1.500000E-04
      1.235293E+03           6.200000E-04
      5.258469E+02           2.592000E-03
      2.409762E+02           7.571000E-03
      1.166418E+02           2.300100E-02
      5.884834E+01           4.594300E-02
      3.052910E+01           9.293700E-02
      1.616943E+01           9.340700E-02
      8.664236E+00           8.015200E-02
      4.591943E+00          -3.177930E-01
      2.381048E+00          -4.378130E-01
      1.206246E+00          -2.329460E-01
      5.888220E-01           1.164897E+00
      2.246580E-01           1.731560E-01
      9.043600E-02          -8.160710E-01
Co    P
      4.196140E+04          -4.000000E-06
      9.928306E+03          -3.300000E-05
      3.224971E+03          -1.850000E-04
      1.235293E+03          -8.870000E-04
      5.258469E+02          -3.204000E-03
      2.409762E+02          -1.084900E-02
      1.166418E+02          -2.833100E-02
      5.884834E+01          -6.736900E-02
      3.052910E+01          -1.083230E-01
      1.616943E+01          -1.719860E-01
      8.664236E+00          -1.084480E-01
      4.591943E+00           7.416070E-01
      2.381048E+00           8.082640E-01
      1.206246E+00          -1.780272E+00
      5.888220E-01           6.365300E-02
      2.246580E-01           1.474242E+00
      9.043600E-02          -1.038549E+00
Co    P
      3.584800E-02           1.000000E+00
Co    P
      0.0142100              1.0000000
Co    D
      3.753200E+02           3.560000E-04
      1.126040E+02           3.239000E-03
      4.351900E+01           1.656900E-02
      1.881470E+01           5.598300E-02
      8.664910E+00           1.394030E-01
      4.137110E+00           2.443780E-01
      1.970800E+00           3.081070E-01
      9.150070E-01           2.972660E-01
      4.073700E-01           2.136850E-01
      1.704440E-01           9.341400E-02
Co    D
      3.753200E+02          -4.110000E-04
      1.126040E+02          -3.774000E-03
      4.351900E+01          -1.931600E-02
      1.881470E+01          -6.643700E-02
      8.664910E+00          -1.705420E-01
      4.137110E+00          -2.854770E-01
      1.970800E+00          -2.328840E-01
      9.150070E-01           9.447100E-02
      4.073700E-01           4.201780E-01
      1.704440E-01           4.094740E-01
Co    D
      3.753200E+02          -5.450000E-04
      1.126040E+02          -5.028000E-03
      4.351900E+01          -2.594500E-02
      1.881470E+01          -9.110400E-02
      8.664910E+00          -2.453950E-01
      4.137110E+00          -3.481600E-01
      1.970800E+00           7.008300E-02
      9.150070E-01           6.494450E-01
      4.073700E-01           1.939420E-01
      1.704440E-01          -6.184680E-01
Co    D
      3.753200E+02          -8.270000E-04
      1.126040E+02          -7.041000E-03
      4.351900E+01          -3.926800E-02
      1.881470E+01          -1.333410E-01
      8.664910E+00          -4.342300E-01
      4.137110E+00          -2.565540E-01
      1.970800E+00           9.662400E-01
      9.150070E-01           1.097980E-01
      4.073700E-01          -1.047035E+00
      1.704440E-01           4.375990E-01
Co    D
      6.437900E-02           1.000000E+00
Co    D
      0.0243200              1.0000000
Co    F
      5.983200E+00           1.000000E+00
Co    F
      1.804500E+00           1.000000E+00
Co    F
      5.442000E-01           1.000000E+00
Co    F
      0.1841600              1.0000000
Co    G
      4.451400E+00           1.000000E+00
Co    G
      1.270000E+00           1.000000E+00
Co    G
      0.4963100              1.0000000
Co    H
      2.795900E+00           1.0000000
Co    H
      1.1579100              1.0000000
end
basis "Ni_aug-cc-pv(q+d)z" 
#basis SET: (149s,104p,42d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Ni    S
      1.550302E+07           2.085023E-06
      2.321071E+06           1.621425E-05
      5.281802E+05           8.530773E-05
      1.496040E+05           3.603793E-04
      4.880907E+04           1.312632E-03
      1.762239E+04           4.272395E-03
      6.874201E+03           1.265994E-02
      2.851857E+03           3.423065E-02
      1.244334E+03           8.326735E-02
      5.661547E+02           1.745758E-01
      2.667873E+02           2.898023E-01
      1.293752E+02           3.207323E-01
      6.365161E+01           1.778265E-01
      2.933302E+01           3.633007E-02
      1.482212E+01           2.089458E-02
      7.460513E+00           1.596954E-02
      3.413576E+00           1.730245E-03
      1.632884E+00           4.817365E-04
      7.435790E-01           1.246800E-04
      1.725920E-01           2.340378E-05
      7.742000E-02          -1.348962E-05
Ni    S
      1.550302E+07          -7.298155E-07
      2.321071E+06          -5.677768E-06
      5.281802E+05          -2.985922E-05
      1.496040E+05          -1.262784E-04
      4.880907E+04          -4.600252E-04
      1.762239E+04          -1.503230E-03
      6.874201E+03          -4.479171E-03
      2.851857E+03          -1.232512E-02
      1.244334E+03          -3.097639E-02
      5.661547E+02          -6.998651E-02
      2.667873E+02          -1.339256E-01
      1.293752E+02          -1.966881E-01
      6.365161E+01          -1.402258E-01
      2.933302E+01           1.960730E-01
      1.482212E+01           5.564517E-01
      7.460513E+00           3.702167E-01
      3.413576E+00           5.396034E-02
      1.632884E+00           4.706492E-03
      7.435790E-01           3.736115E-03
      1.725920E-01          -7.468050E-05
      7.742000E-02           9.575336E-05
Ni    S
      1.550302E+07           2.453237E-07
      2.321071E+06           1.909637E-06
      5.281802E+05           1.003489E-05
      1.496040E+05           4.248835E-05
      4.880907E+04           1.546187E-04
      1.762239E+04           5.064550E-04
      6.874201E+03           1.508840E-03
      2.851857E+03           4.178816E-03
      1.244334E+03           1.056668E-02
      5.661547E+02           2.439300E-02
      2.667873E+02           4.812101E-02
      1.293752E+02           7.565170E-02
      6.365161E+01           5.748534E-02
      2.933302E+01          -9.783186E-02
      1.482212E+01          -3.864536E-01
      7.460513E+00          -3.606598E-01
      3.413576E+00           2.888650E-01
      1.632884E+00           6.830917E-01
      7.435790E-01           3.206778E-01
      1.725920E-01           1.651471E-02
      7.742000E-02           3.124693E-04
Ni    S
      1.550302E+07          -5.114261E-08
      2.321071E+06          -3.980779E-07
      5.281802E+05          -2.092033E-06
      1.496040E+05          -8.856836E-06
      4.880907E+04          -3.223602E-05
      1.762239E+04          -1.055757E-04
      6.874201E+03          -3.146356E-04
      2.851857E+03          -8.714113E-04
      1.244334E+03          -2.205415E-03
      5.661547E+02          -5.095517E-03
      2.667873E+02          -1.008237E-02
      1.293752E+02          -1.592070E-02
      6.365161E+01          -1.222037E-02
      2.933302E+01           2.115869E-02
      1.482212E+01           8.747304E-02
      7.460513E+00           8.511605E-02
      3.413576E+00          -8.115683E-02
      1.632884E+00          -2.166359E-01
      7.435790E-01          -2.076958E-01
      1.725920E-01           2.699296E-01
      7.742000E-02           5.842711E-01
Ni    S
      1.550302E+07          -9.762069E-08
      2.321071E+06          -7.741142E-07
      5.281802E+05          -3.959746E-06
      1.496040E+05          -1.736914E-05
      4.880907E+04          -6.044953E-05
      1.762239E+04          -2.090555E-04
      6.874201E+03          -5.834312E-04
      2.851857E+03          -1.746713E-03
      1.244334E+03          -4.026784E-03
      5.661547E+02          -1.042362E-02
      2.667873E+02          -1.781172E-02
      1.293752E+02          -3.466996E-02
      6.365161E+01          -1.540945E-02
      2.933302E+01           2.086455E-02
      1.482212E+01           2.206820E-01
      7.460513E+00           1.073966E-01
      3.413576E+00          -8.310668E-02
      1.632884E+00          -8.942999E-01
      7.435790E-01           3.750141E-01
      1.725920E-01           1.496753E+00
      7.742000E-02          -5.320390E-01
Ni    S
      1.550302E+07          -1.771733E-07
      2.321071E+06          -1.397615E-06
      5.281802E+05          -7.203859E-06
      1.496040E+05          -3.128552E-05
      4.880907E+04          -1.102699E-04
      1.762239E+04          -3.755735E-04
      6.874201E+03          -1.067900E-03
      2.851857E+03          -3.128427E-03
      1.244334E+03          -7.410272E-03
      5.661547E+02          -1.859501E-02
      2.667873E+02          -3.322798E-02
      1.293752E+02          -6.118440E-02
      6.365161E+01          -3.286334E-02
      2.933302E+01           4.844202E-02
      1.482212E+01           3.989880E-01
      7.460513E+00           3.379290E-01
      3.413576E+00          -7.016224E-01
      1.632884E+00          -1.694434E+00
      7.435790E-01           2.582680E+00
      1.725920E-01          -5.498758E-01
      7.742000E-02          -1.394551E+00
Ni    S
      1.550302E+07          -1.988311E-07
      2.321071E+06          -1.449716E-06
      5.281802E+05          -8.363444E-06
      1.496040E+05          -3.125532E-05
      4.880907E+04          -1.327624E-04
      1.762239E+04          -3.589662E-04
      6.874201E+03          -1.341488E-03
      2.851857E+03          -2.824018E-03
      1.244334E+03          -9.863607E-03
      5.661547E+02          -1.523481E-02
      2.667873E+02          -4.984489E-02
      1.293752E+02          -3.522354E-02
      6.365161E+01          -1.056424E-01
      2.933302E+01           2.138034E-01
      1.482212E+01           1.517675E-01
      7.460513E+00           1.180428E+00
      3.413576E+00          -3.526490E+00
      1.632884E+00           2.550815E+00
      7.435790E-01           4.306461E-01
      1.725920E-01          -3.450041E+00
      7.742000E-02           4.740342E+00
Ni    S
      3.370100E-02           1.000000E+00
Ni    S
      0.0146700              1.0000000
Ni    P
      4.506662E+04           1.100000E-05
      1.066264E+04           9.600000E-05
      3.463431E+03           5.640000E-04
      1.326624E+03           2.570000E-03
      5.647414E+02           9.677000E-03
      2.588288E+02           3.074200E-02
      1.253115E+02           8.206500E-02
      6.324233E+01           1.768450E-01
      3.282406E+01           2.911620E-01
      1.739692E+01           3.308160E-01
      9.324394E+00           2.088190E-01
      4.938839E+00           5.373900E-02
      2.562025E+00           1.709000E-03
      1.299294E+00          -1.798000E-03
      6.346780E-01          -1.046000E-03
      2.322620E-01          -6.200000E-05
      9.154600E-02           1.000000E-07
Ni    P
      4.506662E+04          -4.000000E-06
      1.066264E+04          -3.500000E-05
      3.463431E+03          -2.020000E-04
      1.326624E+03          -9.250000E-04
      5.647414E+02          -3.499000E-03
      2.588288E+02          -1.128000E-02
      1.253115E+02          -3.081900E-02
      6.324233E+01          -6.903600E-02
      3.282406E+01          -1.187330E-01
      1.739692E+01          -1.424430E-01
      9.324394E+00          -4.310700E-02
      4.938839E+00           2.034990E-01
      2.562025E+00           4.062280E-01
      1.299294E+00           3.709380E-01
      6.346780E-01           1.643120E-01
      2.322620E-01           1.726500E-02
      9.154600E-02          -1.682000E-03
Ni    P
      4.506662E+04           1.000000E-06
      1.066264E+04           7.000000E-06
      3.463431E+03           4.100000E-05
      1.326624E+03           1.860000E-04
      5.647414E+02           7.120000E-04
      2.588288E+02           2.269000E-03
      1.253115E+02           6.291000E-03
      6.324233E+01           1.393400E-02
      3.282406E+01           2.453100E-02
      1.739692E+01           2.877000E-02
      9.324394E+00           8.781000E-03
      4.938839E+00          -5.173100E-02
      2.562025E+00          -9.594500E-02
      1.299294E+00          -1.106750E-01
      6.346780E-01           2.727000E-03
      2.322620E-01           3.150270E-01
      9.154600E-02           5.428100E-01
Ni    P
      4.506662E+04           2.000000E-06
      1.066264E+04           1.400000E-05
      3.463431E+03           8.400000E-05
      1.326624E+03           3.710000E-04
      5.647414E+02           1.460000E-03
      2.588288E+02           4.537000E-03
      1.253115E+02           1.292200E-02
      6.324233E+01           2.776600E-02
      3.282406E+01           5.095600E-02
      1.739692E+01           5.674500E-02
      9.324394E+00           2.411900E-02
      4.938839E+00          -1.250870E-01
      2.562025E+00          -2.065410E-01
      1.299294E+00          -2.149830E-01
      6.346780E-01           2.078190E-01
      2.322620E-01           6.385420E-01
      9.154600E-02           3.262840E-01
Ni    P
      4.506662E+04           3.000000E-06
      1.066264E+04           2.400000E-05
      3.463431E+03           1.550000E-04
      1.326624E+03           6.460000E-04
      5.647414E+02           2.689000E-03
      2.588288E+02           7.899000E-03
      1.253115E+02           2.391200E-02
      6.324233E+01           4.800600E-02
      3.282406E+01           9.621300E-02
      1.739692E+01           9.758200E-02
      9.324394E+00           7.702200E-02
      4.938839E+00          -3.601360E-01
      2.562025E+00          -4.455890E-01
      1.299294E+00          -1.165380E-01
      6.346780E-01           1.170503E+00
      2.322620E-01          -3.893100E-02
      9.154600E-02          -7.688140E-01
Ni    P
      4.506662E+04           4.000000E-06
      1.066264E+04           3.600000E-05
      3.463431E+03           1.990000E-04
      1.326624E+03           9.590000E-04
      5.647414E+02           3.463000E-03
      2.588288E+02           1.175600E-02
      1.253115E+02           3.069000E-02
      6.324233E+01           7.308100E-02
      3.282406E+01           1.168270E-01
      1.739692E+01           1.911630E-01
      9.324394E+00           1.065430E-01
      4.938839E+00          -9.499240E-01
      2.562025E+00          -5.636050E-01
      1.299294E+00           1.934611E+00
      6.346780E-01          -5.101770E-01
      2.322620E-01          -1.172297E+00
      9.154600E-02           1.015898E+00
Ni    P
      3.564300E-02           1.000000E+00
Ni    P
      0.0138800              1.0000000
Ni    D
      4.143427E+02           3.500000E-04
      1.243926E+02           3.200000E-03
      4.811540E+01           1.647700E-02
      2.084200E+01           5.600100E-02
      9.622100E+00           1.392340E-01
      4.603400E+00           2.427760E-01
      2.196300E+00           3.040690E-01
      1.020600E+00           2.933190E-01
      4.544000E-01           2.172590E-01
      1.900000E-01           1.046990E-01
Ni    D
      4.143427E+02          -3.620000E-04
      1.243926E+02          -3.335000E-03
      4.811540E+01          -1.717600E-02
      2.084200E+01          -5.924500E-02
      9.622100E+00          -1.512320E-01
      4.603400E+00          -2.544610E-01
      2.196300E+00          -2.287180E-01
      1.020600E+00           2.061600E-02
      4.544000E-01           3.427530E-01
      1.900000E-01           4.738710E-01
Ni    D
      4.143427E+02          -5.290000E-04
      1.243926E+02          -4.928000E-03
      4.811540E+01          -2.537200E-02
      2.084200E+01          -8.965400E-02
      9.622100E+00          -2.387440E-01
      4.603400E+00          -3.597210E-01
      2.196300E+00           4.444000E-03
      1.020600E+00           5.965470E-01
      4.544000E-01           3.313020E-01
      1.900000E-01          -5.090090E-01
Ni    D
      4.143427E+02          -7.870000E-04
      1.243926E+02          -6.778000E-03
      4.811540E+01          -3.772600E-02
      2.084200E+01          -1.291250E-01
      9.622100E+00          -4.148090E-01
      4.603400E+00          -2.839570E-01
      2.196300E+00           8.671940E-01
      1.020600E+00           2.723270E-01
      4.544000E-01          -9.868420E-01
      1.900000E-01           1.853600E-01
Ni    D
      7.150000E-02           1.000000E+00
Ni    D
      0.0269100              1.0000000
Ni    F
      6.913400E+00           1.000000E+00
Ni    F
      2.126000E+00           1.000000E+00
Ni    F
      6.538000E-01           1.000000E+00
Ni    F
      0.2265000              1.0000000
Ni    G
      5.312300E+00           1.000000E+00
Ni    G
      1.545700E+00           1.000000E+00
Ni    G
      0.6237000              1.0000000
Ni    H
      3.349500E+00           1.0000000
Ni    H
      1.4486000              1.0000000
end
basis "Cu_aug-cc-pv(q+d)z" 
#basis SET: (149s,104p,42d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Cu    S
      1.666549E+07           1.922210E-06
      2.495213E+06           1.494655E-05
      5.678507E+05           7.863106E-05
      1.608531E+05           3.321189E-04
      5.248186E+04           1.209649E-03
      1.894885E+04           3.936231E-03
      7.391655E+03           1.166031E-02
      3.066517E+03           3.149512E-02
      1.337994E+03           7.646385E-02
      6.087830E+02           1.595162E-01
      2.868980E+02           2.618983E-01
      1.391530E+02           2.816708E-01
      6.849455E+01           1.509587E-01
      3.160108E+01           7.041955E-02
      1.599158E+01           1.180039E-01
      8.056510E+00           8.015187E-02
      3.690329E+00           1.020122E-02
      1.762902E+00          -3.720464E-04
      8.012690E-01          -2.206886E-05
      1.842430E-01          -2.401085E-05
      8.179300E-02           1.529816E-05
Cu    S
      1.666549E+07          -1.082642E-06
      2.495213E+06          -8.420869E-06
      5.678507E+05          -4.428625E-05
      1.608531E+05          -1.872071E-04
      5.248186E+04          -6.819265E-04
      1.894885E+04          -2.225485E-03
      7.391655E+03          -6.619620E-03
      3.066517E+03          -1.811400E-02
      1.337994E+03          -4.506622E-02
      6.087830E+02          -9.955443E-02
      2.868980E+02          -1.830558E-01
      1.391530E+02          -2.510577E-01
      6.849455E+01          -1.703417E-01
      3.160108E+01           1.900077E-01
      1.599158E+01           5.507048E-01
      8.056510E+00           3.642532E-01
      3.690329E+00           4.868977E-02
      1.762902E+00          -3.799993E-03
      8.012690E-01          -3.156308E-04
      1.842430E-01          -2.430411E-04
      8.179300E-02           1.553645E-04
Cu    S
      1.666549E+07           2.389605E-07
      2.495213E+06           1.860009E-06
      5.678507E+05           9.772580E-06
      1.608531E+05           4.137619E-05
      5.248186E+04           1.505588E-04
      1.894885E+04           4.932175E-04
      7.391655E+03           1.469467E-03
      3.066517E+03           4.071487E-03
      1.337994E+03           1.030091E-02
      6.087830E+02           2.381408E-02
      2.868980E+02           4.707008E-02
      1.391530E+02           7.424450E-02
      6.849455E+01           5.657657E-02
      3.160108E+01          -9.760862E-02
      1.599158E+01          -3.856399E-01
      8.056510E+00          -3.540312E-01
      3.690329E+00           2.983959E-01
      1.762902E+00           6.861809E-01
      8.012690E-01           3.150989E-01
      1.842430E-01           1.394564E-02
      8.179300E-02          -3.611640E-03
Cu    S
      1.666549E+07          -4.823436E-08
      2.495213E+06          -3.753858E-07
      5.678507E+05          -1.972743E-06
      1.608531E+05          -8.349961E-06
      5.248186E+04          -3.039535E-05
      1.894885E+04          -9.953010E-05
      7.391655E+03          -2.967188E-04
      3.066517E+03          -8.217293E-04
      1.337994E+03          -2.081377E-03
      6.087830E+02          -4.811149E-03
      2.868980E+02          -9.537683E-03
      1.391530E+02          -1.507351E-02
      6.849455E+01          -1.161088E-02
      3.160108E+01           2.032716E-02
      1.599158E+01           8.327403E-02
      8.056510E+00           7.953125E-02
      3.690329E+00          -7.901524E-02
      1.762902E+00          -2.054312E-01
      8.012690E-01          -1.985134E-01
      1.842430E-01           2.627133E-01
      8.179300E-02           5.794031E-01
Cu    S
      1.666549E+07          -8.876635E-08
      2.495213E+06          -7.032135E-07
      5.678507E+05          -3.601366E-06
      1.608531E+05          -1.576871E-05
      5.248186E+04          -5.499726E-05
      1.894885E+04          -1.897055E-04
      7.391655E+03          -5.311656E-04
      3.066517E+03          -1.584593E-03
      1.337994E+03          -3.671316E-03
      6.087830E+02          -9.458893E-03
      2.868980E+02          -1.630134E-02
      1.391530E+02          -3.145402E-02
      6.849455E+01          -1.444712E-02
      3.160108E+01           2.037856E-02
      1.599158E+01           1.997307E-01
      8.056510E+00           9.475926E-02
      3.690329E+00          -7.935398E-02
      1.762902E+00          -7.591353E-01
      8.012690E-01           2.365079E-01
      1.842430E-01           1.422604E+00
      8.179300E-02          -3.066203E-01
Cu    S
      1.666549E+07          -1.849356E-07
      2.495213E+06          -1.461905E-06
      5.678507E+05          -7.510534E-06
      1.608531E+05          -3.274989E-05
      5.248186E+04          -1.148239E-04
      1.894885E+04          -3.935903E-04
      7.391655E+03          -1.110617E-03
      3.066517E+03          -3.284174E-03
      1.337994E+03          -7.697235E-03
      6.087830E+02          -1.959013E-02
      2.868980E+02          -3.444712E-02
      1.391530E+02          -6.507176E-02
      6.849455E+01          -3.269416E-02
      3.160108E+01           4.738915E-02
      1.599158E+01           4.333712E-01
      8.056510E+00           3.189521E-01
      3.690329E+00          -7.281955E-01
      1.762902E+00          -1.663116E+00
      8.012690E-01           2.513267E+00
      1.842430E-01          -3.736861E-01
      8.179300E-02          -1.479102E+00
Cu    S
      1.666549E+07          -1.980951E-07
      2.495213E+06          -1.446191E-06
      5.678507E+05          -8.326308E-06
      1.608531E+05          -3.119380E-05
      5.248186E+04          -1.320842E-04
      1.894885E+04          -3.585362E-04
      7.391655E+03          -1.333996E-03
      3.066517E+03          -2.824728E-03
      1.337994E+03          -9.806333E-03
      6.087830E+02          -1.529323E-02
      2.868980E+02          -4.956573E-02
      1.391530E+02          -3.583468E-02
      6.849455E+01          -1.044906E-01
      3.160108E+01           2.105854E-01
      1.599158E+01           1.646732E-01
      8.056510E+00           1.150513E+00
      3.690329E+00          -3.483732E+00
      1.762902E+00           2.516636E+00
      8.012690E-01           4.429064E-01
      1.842430E-01          -3.404310E+00
      8.179300E-02           4.627850E+00
Cu    S
      3.530300E-02           1.000000E+00
Cu    S
      0.0152400              1.0000000
Cu    P
      4.821841E+04           1.100000E-05
      1.142055E+04           9.700000E-05
      3.713569E+03           5.690000E-04
      1.423762E+03           2.589000E-03
      6.066041E+02           9.742000E-03
      2.782564E+02           3.093000E-02
      1.348449E+02           8.253000E-02
      6.812254E+01           1.777580E-01
      3.540088E+01           2.922250E-01
      1.879029E+01           3.303490E-01
      1.008356E+01           2.068630E-01
      5.346120E+00           5.279300E-02
      2.775228E+00           1.718000E-03
      1.407564E+00          -1.701000E-03
      6.872130E-01          -9.760000E-04
      2.468220E-01          -5.400000E-05
      9.622000E-02           1.000000E-07
Cu    P
      4.821841E+04          -4.000000E-06
      1.142055E+04          -3.500000E-05
      3.713569E+03          -2.060000E-04
      1.423762E+03          -9.410000E-04
      6.066041E+02          -3.556000E-03
      2.782564E+02          -1.146100E-02
      1.348449E+02          -3.130900E-02
      6.812254E+01          -7.013900E-02
      3.540088E+01          -1.205620E-01
      1.879029E+01          -1.435520E-01
      1.008356E+01          -4.032700E-02
      5.346120E+00           2.084660E-01
      2.775228E+00           4.087240E-01
      1.407564E+00           3.682010E-01
      6.872130E-01           1.596530E-01
      2.468220E-01           1.595500E-02
      9.622000E-02          -1.681000E-03
Cu    P
      4.821841E+04           1.000000E-06
      1.142055E+04           7.000000E-06
      3.713569E+03           4.000000E-05
      1.423762E+03           1.820000E-04
      6.066041E+02           6.970000E-04
      2.782564E+02           2.220000E-03
      1.348449E+02           6.163000E-03
      6.812254E+01           1.363100E-02
      3.540088E+01           2.403300E-02
      1.879029E+01           2.786200E-02
      1.008356E+01           7.975000E-03
      5.346120E+00          -5.113300E-02
      2.775228E+00          -9.230500E-02
      1.407564E+00          -1.064580E-01
      6.872130E-01           3.738000E-03
      2.468220E-01           3.105410E-01
      9.622000E-02           5.419030E-01
Cu    P
      4.821841E+04           2.000000E-06
      1.142055E+04           1.300000E-05
      3.713569E+03           7.900000E-05
      1.423762E+03           3.490000E-04
      6.066041E+02           1.373000E-03
      2.782564E+02           4.261000E-03
      1.348449E+02           1.214600E-02
      6.812254E+01           2.606400E-02
      3.540088E+01           4.790700E-02
      1.879029E+01           5.282900E-02
      1.008356E+01           2.157500E-02
      5.346120E+00          -1.177830E-01
      2.775228E+00          -1.883970E-01
      1.407564E+00          -2.019160E-01
      6.872130E-01           1.737430E-01
      2.468220E-01           6.368480E-01
      9.622000E-02           3.515180E-01
Cu    P
      4.821841E+04           3.000000E-06
      1.142055E+04           2.500000E-05
      3.713569E+03           1.630000E-04
      1.423762E+03           6.760000E-04
      6.066041E+02           2.808000E-03
      2.782564E+02           8.255000E-03
      1.348449E+02           2.494600E-02
      6.812254E+01           5.016000E-02
      3.540088E+01           1.002890E-01
      1.879029E+01           1.023190E-01
      1.008356E+01           7.724100E-02
      5.346120E+00          -3.844490E-01
      2.775228E+00          -4.513540E-01
      1.407564E+00          -9.477800E-02
      6.872130E-01           1.173118E+00
      2.468220E-01          -5.413300E-02
      9.622000E-02          -7.282440E-01
Cu    P
      4.821841E+04           4.000000E-06
      1.142055E+04           3.700000E-05
      3.713569E+03           1.900000E-04
      1.423762E+03           9.780000E-04
      6.066041E+02           3.308000E-03
      2.782564E+02           1.198000E-02
      1.348449E+02           2.920700E-02
      6.812254E+01           7.512200E-02
      3.540088E+01           1.078350E-01
      1.879029E+01           2.073790E-01
      1.008356E+01           6.040600E-02
      5.346120E+00          -8.949770E-01
      2.775228E+00          -5.584020E-01
      1.407564E+00           1.899706E+00
      6.872130E-01          -5.022240E-01
      2.468220E-01          -1.182413E+00
      9.622000E-02           1.044507E+00
Cu    P
      3.703700E-02           1.000000E+00
Cu    P
      0.0142600              1.0000000
Cu    D
      5.278860E+02           2.560000E-04
      1.587330E+02           2.378000E-03
      6.155560E+01           1.272200E-02
      2.688340E+01           4.501200E-02
      1.251750E+01           1.171960E-01
      6.069770E+00           2.185550E-01
      2.958319E+00           2.914480E-01
      1.414122E+00           2.971380E-01
      6.533290E-01           2.360920E-01
      2.866920E-01           1.314440E-01
Cu    D
      5.278860E+02          -3.160000E-04
      1.587330E+02          -2.958000E-03
      6.155560E+01          -1.587700E-02
      2.688340E+01          -5.686400E-02
      1.251750E+01          -1.535840E-01
      6.069770E+00          -2.811390E-01
      2.958319E+00          -2.685180E-01
      1.414122E+00           2.313000E-02
      6.533290E-01           3.566200E-01
      2.866920E-01           4.184700E-01
Cu    D
      5.278860E+02           3.790000E-04
      1.587330E+02           3.573000E-03
      6.155560E+01           1.922900E-02
      2.688340E+01           6.990300E-02
      1.251750E+01           1.993800E-01
      6.069770E+00           3.488480E-01
      2.958319E+00           5.139400E-02
      1.414122E+00          -5.596790E-01
      6.533290E-01          -3.845810E-01
      2.866920E-01           4.389250E-01
Cu    D
      5.278860E+02          -5.930000E-04
      1.587330E+02          -5.106000E-03
      6.155560E+01          -2.992200E-02
      2.688340E+01          -1.032930E-01
      1.251750E+01          -3.595680E-01
      6.069770E+00          -4.128070E-01
      2.958319E+00           7.476890E-01
      1.414122E+00           5.425150E-01
      6.533290E-01          -9.777060E-01
      2.866920E-01          -8.860300E-02
Cu    D
      1.150140E-01           1.000000E+00
Cu    D
      0.0461400              1.0000000
Cu    F
      7.734400E+00           1.000000E+00
Cu    F
      2.390900E+00           1.000000E+00
Cu    F
      7.391000E-01           1.000000E+00
Cu    F
      0.2574700              1.0000000
Cu    G
      6.007500E+00           1.000000E+00
Cu    G
      1.776000E+00           1.000000E+00
Cu    G
      0.7321200              1.0000000
Cu    H
      3.790900E+00           1.0000000
Cu    H
      1.6768100              1.0000000
end
basis "Zn_aug-cc-pv(q+d)z" 
#basis SET: (149s,104p,42d,4f,3g,2h) -> [9s,8p,6d,4f,3g,2h]
Zn    S
      1.785293E+07           2.106603E-06
      2.673038E+06           1.638051E-05
      6.083244E+05           8.617178E-05
      1.723176E+05           3.640028E-04
      5.622269E+04           1.325778E-03
      2.029985E+04           4.315394E-03
      7.918871E+03           1.278917E-02
      3.285340E+03           3.459541E-02
      1.433524E+03           8.423468E-02
      6.522889E+02           1.769497E-01
      3.074360E+02           2.947718E-01
      1.491466E+02           3.286054E-01
      7.345108E+01           1.837326E-01
      3.392562E+01           2.845640E-02
      1.718947E+01          -1.562471E-03
      8.666595E+00           1.057694E-03
      3.972505E+00          -4.832147E-04
      1.894665E+00           1.795943E-04
      8.593850E-01          -7.198366E-05
      1.952560E-01           2.200105E-05
      8.585400E-02          -1.565510E-05
Zn    S
      1.785293E+07          -6.503871E-07
      2.673038E+06          -5.059606E-06
      6.083244E+05          -2.660362E-05
      1.723176E+05          -1.125168E-04
      5.622269E+04          -4.098844E-04
      2.029985E+04          -1.340085E-03
      7.918871E+03          -3.996271E-03
      3.285340E+03          -1.102397E-02
      1.433524E+03          -2.783658E-02
      6.522889E+02          -6.352200E-02
      3.074360E+02          -1.235647E-01
      1.491466E+02          -1.860330E-01
      7.345108E+01          -1.345412E-01
      3.392562E+01           2.026370E-01
      1.718947E+01           5.627948E-01
      8.666595E+00           3.687315E-01
      3.972505E+00           5.055865E-02
      1.894665E+00          -2.856100E-04
      8.593850E-01           1.213965E-03
      1.952560E-01          -1.706895E-04
      8.585400E-02           1.266229E-04
Zn    S
      1.785293E+07           2.455424E-07
      2.673038E+06           1.911263E-06
      6.083244E+05           1.004137E-05
      1.723176E+05           4.251710E-05
      5.622269E+04           1.546957E-04
      2.029985E+04           5.068054E-04
      7.918871E+03           1.509742E-03
      3.285340E+03           4.183744E-03
      1.433524E+03           1.058425E-02
      6.522889E+02           2.447935E-02
      3.074360E+02           4.837945E-02
      1.491466E+02           7.630985E-02
      7.345108E+01           5.798021E-02
      3.392562E+01          -1.010517E-01
      1.718947E+01          -3.950702E-01
      8.666595E+00          -3.534286E-01
      3.972505E+00           3.070109E-01
      1.894665E+00           6.935144E-01
      8.593850E-01           3.040583E-01
      1.952560E-01           1.003318E-02
      8.585400E-02          -4.007622E-03
Zn    S
      1.785293E+07           4.916948E-08
      2.673038E+06           3.829348E-07
      6.083244E+05           2.010287E-06
      1.723176E+05           8.520784E-06
      5.622269E+04           3.096268E-05
      2.029985E+04           1.016040E-04
      7.918871E+03           3.021322E-04
      3.285340E+03           8.393851E-04
      1.433524E+03           2.119040E-03
      6.522889E+02           4.923291E-03
      3.074360E+02           9.713665E-03
      1.491466E+02           1.549413E-02
      7.345108E+01           1.170570E-02
      3.392562E+01          -2.068558E-02
      1.718947E+01          -8.652477E-02
      8.666595E+00          -7.840824E-02
      3.972505E+00           7.950591E-02
      1.894665E+00           2.182560E-01
      8.593850E-01           1.957366E-01
      1.952560E-01          -3.195337E-01
      8.585400E-02          -5.833695E-01
Zn    S
      1.785293E+07          -1.379282E-07
      2.673038E+06          -1.098688E-06
      6.083244E+05          -5.581627E-06
      1.723176E+05          -2.469757E-05
      5.622269E+04          -8.499700E-05
      2.029985E+04          -2.979550E-04
      7.918871E+03          -8.180999E-04
      3.285340E+03          -2.498043E-03
      1.433524E+03          -5.630866E-03
      6.522889E+02          -1.501607E-02
      3.074360E+02          -2.479935E-02
      1.491466E+02          -5.092472E-02
      7.345108E+01          -1.923797E-02
      3.392562E+01           2.480840E-02
      1.718947E+01           3.402582E-01
      8.666595E+00           1.317501E-01
      3.972505E+00          -2.092734E-01
      1.894665E+00          -1.289970E+00
      8.593850E-01           9.898685E-01
      1.952560E-01           1.477960E+00
      8.585400E-02          -1.234764E+00
Zn    S
      1.785293E+07          -1.951222E-07
      2.673038E+06          -1.513488E-06
      6.083244E+05          -7.991991E-06
      1.723176E+05          -3.361493E-05
      5.622269E+04          -1.233416E-04
      2.029985E+04          -4.000292E-04
      7.918871E+03          -1.206705E-03
      3.285340E+03          -3.298144E-03
      1.433524E+03          -8.503531E-03
      6.522889E+02          -1.932075E-02
      3.074360E+02          -3.951180E-02
      1.491466E+02          -6.074193E-02
      7.345108E+01          -5.154698E-02
      3.392562E+01           9.063520E-02
      1.718947E+01           3.930253E-01
      8.666595E+00           5.283548E-01
      3.972505E+00          -1.462611E+00
      1.894665E+00          -8.366769E-01
      8.593850E-01           2.615168E+00
      1.952560E-01          -2.241322E+00
      8.585400E-02           7.597394E-01
Zn    S
      1.785293E+07          -2.631275E-07
      2.673038E+06          -1.954514E-06
      6.083244E+05          -1.098059E-05
      1.723176E+05          -4.252529E-05
      5.622269E+04          -1.728905E-04
      2.029985E+04          -4.940605E-04
      7.918871E+03          -1.731281E-03
      3.285340E+03          -3.952778E-03
      1.433524E+03          -1.260194E-02
      6.522889E+02          -2.205362E-02
      3.074360E+02          -6.268701E-02
      1.491466E+02          -5.878225E-02
      7.345108E+01          -1.200370E-01
      3.392562E+01           2.236128E-01
      1.718947E+01           4.980742E-01
      8.666595E+00           1.191580E+00
      3.972505E+00          -5.649063E+00
      1.894665E+00           6.843489E+00
      8.593850E-01          -3.320100E+00
      1.952560E-01          -2.249601E-01
      8.585400E-02           1.902154E+00
Zn    S
      3.678100E-02           1.000000E+00
Zn    S
      0.0157600              1.0000000
Zn    P
      5.286793E+04           1.100000E-05
      1.251179E+04           9.400000E-05
      4.065286E+03           5.510000E-04
      1.557595E+03           2.511000E-03
      6.632892E+02           9.470000E-03
      3.041561E+02           3.016900E-02
      1.473680E+02           8.085500E-02
      7.445469E+01           1.751390E-01
      3.871493E+01           2.897160E-01
      2.057022E+01           3.298490E-01
      1.105425E+01           2.092940E-01
      5.874661E+00           5.625900E-02
      3.052936E+00           5.052000E-03
      1.547225E+00           9.970000E-04
      7.541510E-01           1.870000E-04
      2.653490E-01           5.100000E-05
      1.020670E-01          -1.300000E-05
Zn    P
      5.286793E+04          -4.000000E-06
      1.251179E+04          -3.500000E-05
      4.065286E+03          -2.060000E-04
      1.557595E+03          -9.420000E-04
      6.632892E+02          -3.570000E-03
      3.041561E+02          -1.154000E-02
      1.473680E+02          -3.165200E-02
      7.445469E+01          -7.128500E-02
      3.871493E+01          -1.232840E-01
      2.057022E+01          -1.476380E-01
      1.105425E+01          -4.447700E-02
      5.874661E+00           2.053650E-01
      3.052936E+00           4.100860E-01
      1.547225E+00           3.721450E-01
      7.541510E-01           1.581180E-01
      2.653490E-01           1.454000E-02
      1.020670E-01          -1.608000E-03
Zn    P
      5.286793E+04           1.000000E-06
      1.251179E+04           6.000000E-06
      4.065286E+03           3.800000E-05
      1.557595E+03           1.730000E-04
      6.632892E+02           6.640000E-04
      3.041561E+02           2.120000E-03
      1.473680E+02           5.916000E-03
      7.445469E+01           1.315300E-02
      3.871493E+01           2.337200E-02
      2.057022E+01           2.722100E-02
      1.105425E+01           8.334000E-03
      5.874661E+00          -4.886000E-02
      3.052936E+00          -8.889400E-02
      1.547225E+00          -1.036180E-01
      7.541510E-01           1.051000E-03
      2.653490E-01           3.030640E-01
      1.020670E-01           5.427240E-01
Zn    P
      5.286793E+04           1.000000E-06
      1.251179E+04           1.100000E-05
      4.065286E+03           6.700000E-05
      1.557595E+03           2.960000E-04
      6.632892E+02           1.157000E-03
      3.041561E+02           3.634000E-03
      1.473680E+02           1.030700E-02
      7.445469E+01           2.248200E-02
      3.871493E+01           4.103300E-02
      2.057022E+01           4.646000E-02
      1.105425E+01           1.814600E-02
      5.874661E+00          -9.436400E-02
      3.052936E+00          -1.601770E-01
      1.547225E+00          -1.808950E-01
      7.541510E-01           9.482600E-02
      2.653490E-01           6.291530E-01
      1.020670E-01           4.083180E-01
Zn    P
      5.286793E+04           3.000000E-06
      1.251179E+04           2.400000E-05
      4.065286E+03           1.590000E-04
      1.557595E+03           6.460000E-04
      6.632892E+02           2.747000E-03
      3.041561E+02           7.938000E-03
      1.473680E+02           2.460100E-02
      7.445469E+01           4.857600E-02
      3.871493E+01           1.006820E-01
      2.057022E+01           9.846800E-02
      1.105425E+01           8.623500E-02
      5.874661E+00          -3.793800E-01
      3.052936E+00          -4.203930E-01
      1.547225E+00          -1.825620E-01
      7.541510E-01           1.177887E+00
      2.653490E-01           5.197400E-02
      1.020670E-01          -7.444770E-01
Zn    P
      5.286793E+04          -3.000000E-06
      1.251179E+04          -3.600000E-05
      4.065286E+03          -1.740000E-04
      1.557595E+03          -9.530000E-04
      6.632892E+02          -3.047000E-03
      3.041561E+02          -1.173600E-02
      1.473680E+02          -2.701600E-02
      7.445469E+01          -7.479800E-02
      3.871493E+01          -9.823700E-02
      2.057022E+01          -2.150840E-01
      1.105425E+01          -3.221400E-02
      5.874661E+00           7.563080E-01
      3.052936E+00           7.019320E-01
      1.547225E+00          -1.814187E+00
      7.541510E-01           2.914540E-01
      2.653490E-01           1.295623E+00
      1.020670E-01          -1.067089E+00
Zn    P
      3.875500E-02           1.000000E+00
Zn    P
      0.0147200              1.0000000
Zn    D
      6.397806E+02           2.080000E-04
      1.926742E+02           1.954000E-03
      7.484368E+01           1.071100E-02
      3.286048E+01           3.905700E-02
      1.539353E+01           1.048480E-01
      7.525512E+00           2.045690E-01
      3.715429E+00           2.852080E-01
      1.806459E+00           3.014460E-01
      8.529730E-01           2.462280E-01
      3.847800E-01           1.390160E-01
Zn    D
      6.397806E+02          -2.900000E-04
      1.926742E+02          -2.738000E-03
      7.484368E+01          -1.511100E-02
      3.286048E+01          -5.564300E-02
      1.539353E+01          -1.558640E-01
      7.525512E+00          -3.034890E-01
      3.715429E+00          -3.062760E-01
      1.806459E+00           3.339500E-02
      8.529730E-01           4.000750E-01
      3.847800E-01           3.899720E-01
Zn    D
      6.397806E+02          -3.170000E-04
      1.926742E+02          -3.056000E-03
      7.484368E+01          -1.675300E-02
      3.286048E+01          -6.271200E-02
      1.539353E+01          -1.879800E-01
      7.525512E+00          -3.720840E-01
      3.715429E+00          -2.343900E-02
      1.806459E+00           6.054700E-01
      8.529730E-01           3.230630E-01
      3.847800E-01          -4.713720E-01
Zn    D
      6.397806E+02           4.520000E-04
      1.926742E+02           3.879000E-03
      7.484368E+01           2.357000E-02
      3.286048E+01           8.252600E-02
      1.539353E+01           2.972800E-01
      7.525512E+00           4.368320E-01
      3.715429E+00          -6.042900E-01
      1.806459E+00          -6.746050E-01
      8.529730E-01           9.387020E-01
      3.847800E-01           2.779680E-01
Zn    D
      1.593370E-01           1.000000E+00
Zn    D
      0.0659800              1.0000000
Zn    F
      8.696000E+00           1.000000E+00
Zn    F
      2.723600E+00           1.000000E+00
Zn    F
      8.530000E-01           1.000000E+00
Zn    F
      0.2994900              1.0000000
Zn    G
      6.893300E+00           1.000000E+00
Zn    G
      2.069300E+00           1.000000E+00
Zn    G
      0.8673600              1.0000000
Zn    H
      4.413600E+00           1.0000000
Zn    H
      2.0273400              1.0000000
end
basis "Ga_aug-cc-pv(q+d)z" 
#basis SET: (76s,43p,13d,3f,2g) -> [8s,7p,5d,3f,2g]
Ga    S
      1.127450E+07           4.100000E-06
      1.688053E+06           3.160000E-05
      3.841408E+05           1.662000E-04
      1.088070E+05           7.017000E-04
      3.549769E+04           2.550800E-03
      1.281510E+04           8.265300E-03
      4.998109E+03           2.419500E-02
      2.072885E+03           6.365720E-02
      9.037458E+02           1.457651E-01
      4.104431E+02           2.703313E-01
      1.926064E+02           3.491571E-01
      9.204968E+01           2.374433E-01
      4.204781E+01           4.808330E-02
      2.106922E+01          -2.296600E-03
      1.044792E+01           1.790400E-03
      4.777658E+00          -8.276000E-04
      2.282566E+00           3.543000E-04
      1.035303E+00          -1.411000E-04
Ga    S
      1.127450E+07          -1.300000E-06
      1.688053E+06          -9.800000E-06
      3.841408E+05          -5.150000E-05
      1.088070E+05          -2.176000E-04
      3.549769E+04          -7.932000E-04
      1.281510E+04          -2.582100E-03
      4.998109E+03          -7.665200E-03
      2.072885E+03          -2.075670E-02
      9.037458E+02          -5.077580E-02
      4.104431E+02          -1.073802E-01
      1.926064E+02          -1.806520E-01
      9.204968E+01          -1.736701E-01
      4.204781E+01           1.108251E-01
      2.106922E+01           5.418366E-01
      1.044792E+01           4.467899E-01
      4.777658E+00           7.621050E-02
      2.282566E+00          -9.371000E-04
      1.035303E+00           1.780600E-03
Ga    S
      1.127450E+07           5.000000E-07
      1.688053E+06           3.700000E-06
      3.841408E+05           1.970000E-05
      1.088070E+05           8.300000E-05
      3.549769E+04           3.029000E-04
      1.281510E+04           9.850000E-04
      4.998109E+03           2.934100E-03
      2.072885E+03           7.957200E-03
      9.037458E+02           1.967610E-02
      4.104431E+02           4.217830E-02
      1.926064E+02           7.386450E-02
      9.204968E+01           7.475310E-02
      4.204781E+01          -5.341080E-02
      2.106922E+01          -3.573919E-01
      1.044792E+01          -4.250713E-01
      4.777658E+00           2.010992E-01
      2.282566E+00           7.145966E-01
      1.035303E+00           3.688149E-01
Ga    S
      1.127450E+07          -1.000000E-07
      1.688053E+06          -9.000000E-07
      3.841408E+05          -4.600000E-06
      1.088070E+05          -1.930000E-05
      3.549769E+04          -7.050000E-05
      1.281510E+04          -2.290000E-04
      4.998109E+03          -6.835000E-04
      2.072885E+03          -1.850500E-03
      9.037458E+02          -4.593000E-03
      4.104431E+02          -9.834300E-03
      1.926064E+02          -1.738490E-02
      9.204968E+01          -1.757520E-02
      4.204781E+01           1.252540E-02
      2.106922E+01           9.034000E-02
      1.044792E+01           1.104721E-01
      4.777658E+00          -6.121190E-02
      2.282566E+00          -2.561768E-01
      1.035303E+00          -2.603772E-01
Ga    S
      2.576740E-01           1.000000E+00
Ga    S
      1.191790E-01           1.000000E+00
Ga    S
      5.129400E-02           1.000000E+00
Ga    S
      0.0184750              1.0000000
Ga    P
      2.205977E+04           5.470000E-05
      5.222313E+03           4.865000E-04
      1.696060E+03           2.799000E-03
      6.487657E+02           1.223960E-02
      2.751027E+02           4.274760E-02
      1.253463E+02           1.187187E-01
      6.005433E+01           2.485828E-01
      2.972377E+01           3.601622E-01
      1.503978E+01           2.950171E-01
      7.572273E+00           9.847940E-02
      3.738676E+00           8.767100E-03
      1.796788E+00           1.396100E-03
      8.299100E-01           7.700000E-05
Ga    P
      2.205977E+04          -2.070000E-05
      5.222313E+03          -1.846000E-04
      1.696060E+03          -1.064000E-03
      6.487657E+02          -4.694600E-03
      2.751027E+02          -1.664860E-02
      1.253463E+02          -4.781140E-02
      6.005433E+01          -1.045303E-01
      2.972377E+01          -1.612965E-01
      1.503978E+01          -1.143170E-01
      7.572273E+00           1.459056E-01
      3.738676E+00           4.271989E-01
      1.796788E+00           4.240415E-01
      8.299100E-01           1.599440E-01
Ga    P
      2.205977E+04           3.400000E-06
      5.222313E+03           3.000000E-05
      1.696060E+03           1.750000E-04
      6.487657E+02           7.642000E-04
      2.751027E+02           2.745800E-03
      1.253463E+02           7.814000E-03
      6.005433E+01           1.742150E-02
      2.972377E+01           2.648520E-02
      1.503978E+01           1.939500E-02
      7.572273E+00          -3.131290E-02
      3.738676E+00          -8.016340E-02
      1.796788E+00          -1.001729E-01
      8.299100E-01          -1.058780E-02
Ga    P
      2.728740E-01           1.000000E+00
Ga    P
      1.015400E-01           1.000000E+00
Ga    P
      3.765800E-02           1.000000E+00
Ga    P
      0.0114060              1.0000000
Ga    D
      7.664370E+02           1.745000E-04
      2.310043E+02           1.657700E-03
      8.978124E+01           9.289900E-03
      3.954668E+01           3.489050E-02
      1.860758E+01           9.634530E-02
      9.151287E+00           1.955703E-01
      4.565005E+00           2.835942E-01
      2.253066E+00           3.082515E-01
      1.086723E+00           2.519620E-01
Ga    D
      5.033040E-01           1.000000E+00
Ga    D
      2.122830E-01           1.000000E+00
Ga    D
      8.280000E-02           1.000000E+00
Ga    D
      0.0279000              1.0000000
Ga    F
      4.710000E-01           1.000000E+00
Ga    F
      1.810000E-01           1.000000E+00
Ga    F
      0.0655000              1.0000000
Ga    G
      4.032000E-01           1.0000000
Ga    G
      0.1680000              1.0000000
end
basis "Ge_aug-cc-pv(q+d)z" 
#basis SET: (76s,43p,13d,3f,2g) -> [8s,7p,5d,3f,2g]
Ge    S
      1.236051E+07           3.900000E-06
      1.850698E+06           3.050000E-05
      4.211314E+05           1.605000E-04
      1.192783E+05           6.776000E-04
      3.891228E+04           2.463700E-03
      1.404868E+04           7.983500E-03
      5.480699E+03           2.337740E-02
      2.274206E+03           6.157420E-02
      9.922413E+02           1.415076E-01
      4.509997E+02           2.646942E-01
      2.118202E+02           3.483257E-01
      1.014110E+02           2.454196E-01
      4.691409E+01           5.356460E-02
      2.350895E+01          -1.838000E-03
      1.168131E+01           1.804900E-03
      5.434526E+00          -8.476000E-04
      2.608808E+00           3.668000E-04
      1.198442E+00          -1.542000E-04
Ge    S
      1.236051E+07          -1.200000E-06
      1.850698E+06          -9.500000E-06
      4.211314E+05          -4.990000E-05
      1.192783E+05          -2.109000E-04
      3.891228E+04          -7.686000E-04
      1.404868E+04          -2.502500E-03
      5.480699E+03          -7.425900E-03
      2.274206E+03          -2.012490E-02
      9.922413E+02          -4.929860E-02
      4.509997E+02          -1.048683E-01
      2.118202E+02          -1.783275E-01
      1.014110E+02          -1.789581E-01
      4.691409E+01           8.738420E-02
      2.350895E+01           5.270920E-01
      1.168131E+01           4.679551E-01
      5.434526E+00           8.922060E-02
      2.608808E+00          -3.423000E-04
      1.198442E+00           1.914400E-03
Ge    S
      1.236051E+07           5.000000E-07
      1.850698E+06           3.700000E-06
      4.211314E+05           1.920000E-05
      1.192783E+05           8.130000E-05
      3.891228E+04           2.965000E-04
      1.404868E+04           9.648000E-04
      5.480699E+03           2.871500E-03
      2.274206E+03           7.797300E-03
      9.922413E+02           1.929220E-02
      4.509997E+02           4.162000E-02
      2.118202E+02           7.353680E-02
      1.014110E+02           7.783200E-02
      4.691409E+01          -4.235820E-02
      2.350895E+01          -3.447537E-01
      1.168131E+01          -4.456713E-01
      5.434526E+00           1.511544E-01
      2.608808E+00           7.174295E-01
      1.198442E+00           4.035634E-01
Ge    S
      1.236051E+07          -1.000000E-07
      1.850698E+06          -9.000000E-07
      4.211314E+05          -4.900000E-06
      1.192783E+05          -2.080000E-05
      3.891228E+04          -7.610000E-05
      1.404868E+04          -2.472000E-04
      5.480699E+03          -7.373000E-04
      2.274206E+03          -1.998100E-03
      9.922413E+02          -4.964000E-03
      4.509997E+02          -1.069300E-02
      2.118202E+02          -1.908430E-02
      1.014110E+02          -2.016430E-02
      4.691409E+01           1.083620E-02
      2.350895E+01           9.621100E-02
      1.168131E+01           1.279979E-01
      5.434526E+00          -5.060650E-02
      2.608808E+00          -2.852917E-01
      1.198442E+00          -3.065359E-01
Ge    S
      3.298080E-01           1.000000E+00
Ge    S
      1.554330E-01           1.000000E+00
Ge    S
      6.691300E-02           1.000000E+00
Ge    S
      0.0263900              1.0000000
Ge    P
      2.401747E+04           5.310000E-05
      5.685717E+03           4.720000E-04
      1.846486E+03           2.718700E-03
      7.062498E+02           1.191450E-02
      2.994561E+02           4.176250E-02
      1.364390E+02           1.165894E-01
      6.539015E+01           2.458338E-01
      3.239373E+01           3.591261E-01
      1.641562E+01           2.977929E-01
      8.287787E+00           1.017708E-01
      4.112634E+00           9.407200E-03
      1.998854E+00           1.435000E-03
      9.442910E-01           3.540000E-05
Ge    P
      2.401747E+04          -2.040000E-05
      5.685717E+03          -1.818000E-04
      1.846486E+03          -1.049100E-03
      7.062498E+02          -4.639200E-03
      2.994561E+02          -1.650900E-02
      1.364390E+02          -4.766090E-02
      6.539015E+01          -1.049678E-01
      3.239373E+01          -1.633745E-01
      1.641562E+01          -1.180998E-01
      8.287787E+00           1.420178E-01
      4.112634E+00           4.274324E-01
      1.998854E+00           4.256167E-01
      9.442910E-01           1.582034E-01
Ge    P
      2.401747E+04           4.000000E-06
      5.685717E+03           3.570000E-05
      1.846486E+03           2.080000E-04
      7.062498E+02           9.121000E-04
      2.994561E+02           3.282300E-03
      1.364390E+02           9.413900E-03
      6.539015E+01           2.109170E-02
      3.239373E+01           3.250000E-02
      1.641562E+01           2.399720E-02
      8.287787E+00          -3.711860E-02
      4.112634E+00          -9.881300E-02
      1.998854E+00          -1.235659E-01
      9.442910E-01          -1.101330E-02
Ge    P
      3.412110E-01           1.000000E+00
Ge    P
      1.343500E-01           1.000000E+00
Ge    P
      5.173500E-02           1.000000E+00
Ge    P
      0.0185500              1.0000000
Ge    D
      8.646741E+02           1.645000E-04
      2.610376E+02           1.565400E-03
      1.017703E+02           8.795400E-03
      4.511664E+01           3.318520E-02
      2.143069E+01           9.195370E-02
      1.065986E+01           1.892017E-01
      5.392287E+00           2.805892E-01
      2.704497E+00           3.117474E-01
      1.328544E+00           2.554197E-01
Ge    D
      6.264520E-01           1.000000E+00
Ge    D
      2.660130E-01           1.000000E+00
Ge    D
      1.063000E-01           1.000000E+00
Ge    D
      0.0397000              1.0000000
Ge    F
      5.492000E-01           1.000000E+00
Ge    F
      2.190000E-01           1.000000E+00
Ge    F
      0.0884000              1.0000000
Ge    G
      4.681000E-01           1.0000000
Ge    G
      0.2143000              1.0000000
end
basis "As_aug-cc-pv(q+d)z" 
#basis SET: (76s,43p,13d,3f,2g) -> [8s,7p,5d,3f,2g]
As    S
      1.360034E+07           3.800000E-06
      2.036507E+06           2.920000E-05
      4.634328E+05           1.538000E-04
      1.312599E+05           6.496000E-04
      4.281919E+04           2.362500E-03
      1.545702E+04           7.660900E-03
      6.028458E+03           2.246720E-02
      2.500560E+03           5.934250E-02
      1.090615E+03           1.371015E-01
      4.956215E+02           2.589472E-01
      2.328167E+02           3.472847E-01
      1.116312E+02           2.534247E-01
      5.226995E+01           5.962660E-02
      2.614988E+01          -1.186100E-03
      1.301876E+01           1.779100E-03
      6.155432E+00          -8.455000E-04
      2.959127E+00           3.660000E-04
      1.373874E+00          -1.622000E-04
As    S
      1.360034E+07          -1.200000E-06
      2.036507E+06          -9.100000E-06
      4.634328E+05          -4.800000E-05
      1.312599E+05          -2.028000E-04
      4.281919E+04          -7.392000E-04
      1.545702E+04          -2.408900E-03
      6.028458E+03          -7.153800E-03
      2.500560E+03          -1.943330E-02
      1.090615E+03          -4.774710E-02
      4.956215E+02          -1.022639E-01
      2.328167E+02          -1.758326E-01
      1.116312E+02          -1.837494E-01
      5.226995E+01           6.482760E-02
      2.614988E+01           5.109281E-01
      1.301876E+01           4.873143E-01
      6.155432E+00           1.033636E-01
      2.959127E+00           6.355000E-04
      1.373874E+00           1.976600E-03
As    S
      1.360034E+07           5.000000E-07
      2.036507E+06           3.600000E-06
      4.634328E+05           1.870000E-05
      1.312599E+05           7.900000E-05
      4.281919E+04           2.881000E-04
      1.545702E+04           9.386000E-04
      6.028458E+03           2.794600E-03
      2.500560E+03           7.609800E-03
      1.090615E+03           1.886990E-02
      4.956215E+02           4.100630E-02
      2.328167E+02           7.312750E-02
      1.116312E+02           8.071940E-02
      5.226995E+01          -3.163000E-02
      2.614988E+01          -3.317376E-01
      1.301876E+01          -4.638221E-01
      6.155432E+00           1.036990E-01
      2.959127E+00           7.182986E-01
      1.373874E+00           4.353305E-01
As    S
      1.360034E+07          -1.000000E-07
      2.036507E+06          -1.000000E-06
      4.634328E+05          -5.200000E-06
      1.312599E+05          -2.170000E-05
      4.281919E+04          -7.940000E-05
      1.545702E+04          -2.583000E-04
      6.028458E+03          -7.709000E-04
      2.500560E+03          -2.094600E-03
      1.090615E+03          -5.216400E-03
      4.956215E+02          -1.131630E-02
      2.328167E+02          -2.039350E-02
      1.116312E+02          -2.246640E-02
      5.226995E+01           8.559000E-03
      2.614988E+01           9.956920E-02
      1.301876E+01           1.434501E-01
      6.155432E+00          -3.719010E-02
      2.959127E+00          -3.085368E-01
      1.373874E+00          -3.478649E-01
As    S
      4.088500E-01           1.000000E+00
As    S
      1.945110E-01           1.000000E+00
As    S
      8.364100E-02           1.000000E+00
As    S
      0.0324990              1.0000000
As    P
      2.557042E+04           5.330000E-05
      6.052924E+03           4.744000E-04
      1.965700E+03           2.733000E-03
      7.517723E+02           1.198710E-02
      3.186814E+02           4.207660E-02
      1.451475E+02           1.175891E-01
      6.954116E+01           2.478747E-01
      3.445138E+01           3.605148E-01
      1.746061E+01           2.955921E-01
      8.808609E+00           9.921630E-02
      4.378646E+00           8.786600E-03
      2.144405E+00           1.446200E-03
      1.029350E+00          -4.470000E-05
As    P
      2.557042E+04          -2.080000E-05
      6.052924E+03          -1.855000E-04
      1.965700E+03          -1.070400E-03
      7.517723E+02          -4.739200E-03
      3.186814E+02          -1.688850E-02
      1.451475E+02          -4.884450E-02
      6.954116E+01          -1.075989E-01
      3.445138E+01          -1.669376E-01
      1.746061E+01          -1.169214E-01
      8.808609E+00           1.514505E-01
      4.378646E+00           4.371731E-01
      2.144405E+00           4.197078E-01
      1.029350E+00           1.437636E-01
As    P
      2.557042E+04           4.600000E-06
      6.052924E+03           4.120000E-05
      1.965700E+03           2.393000E-04
      7.517723E+02           1.053100E-03
      3.186814E+02           3.786300E-03
      1.451475E+02           1.091010E-02
      6.954116E+01           2.438530E-02
      3.445138E+01           3.764820E-02
      1.746061E+01           2.651370E-02
      8.808609E+00          -4.454640E-02
      4.378646E+00          -1.167681E-01
      2.144405E+00          -1.409441E-01
      1.029350E+00          -1.212100E-03
As    P
      4.046360E-01           1.000000E+00
As    P
      1.656220E-01           1.000000E+00
As    P
      6.561000E-02           1.000000E+00
As    P
      0.0236980              1.0000000
As    D
      9.969796E+02           1.462000E-04
      3.009852E+02           1.403400E-03
      1.172347E+02           8.019500E-03
      5.195690E+01           3.100480E-02
      2.468944E+01           8.784780E-02
      1.229517E+01           1.852250E-01
      6.244652E+00           2.808251E-01
      3.155460E+00           3.163198E-01
      1.568049E+00           2.571192E-01
As    D
      7.486470E-01           1.000000E+00
As    D
      3.191250E-01           1.000000E+00
As    D
      1.300000E-01           1.000000E+00
As    D
      0.0531000              1.0000000
As    F
      6.440000E-01           1.000000E+00
As    F
      2.640000E-01           1.000000E+00
As    F
      0.1132000              1.0000000
As    G
      5.465000E-01           1.0000000
As    G
      0.2390000              1.0000000
end
basis "Se_aug-cc-pv(q+d)z" 
#basis SET: (76s,43p,13d,3f,2g) -> [8s,7p,5d,3f,2g]
Se    S
      1.501100E+07           3.600000E-06
      2.247500E+06           2.790000E-05
      5.114500E+05           1.466000E-04
      1.448700E+05           6.190000E-04
      4.726100E+04           2.251400E-03
      1.706200E+04           7.303000E-03
      6.654500E+03           2.144420E-02
      2.759800E+03           5.681220E-02
      1.203200E+03           1.320807E-01
      5.465300E+02           2.523469E-01
      2.566300E+02           3.459296E-01
      1.231400E+02           2.623890E-01
      5.826300E+01           6.679380E-02
      2.902300E+01          -3.332000E-04
      1.446500E+01           1.727500E-03
      6.934800E+00          -8.299000E-04
      3.329900E+00           3.578000E-04
      1.560000E+00          -1.666000E-04
Se    S
      1.501100E+07          -1.100000E-06
      2.247500E+06          -8.700000E-06
      5.114500E+05          -4.590000E-05
      1.448700E+05          -1.939000E-04
      4.726100E+04          -7.064000E-04
      1.706200E+04          -2.303000E-03
      6.654500E+03          -6.842500E-03
      2.759800E+03          -1.863350E-02
      1.203200E+03          -4.595120E-02
      5.465300E+02          -9.921930E-02
      2.566300E+02          -1.728813E-01
      1.231400E+02          -1.884973E-01
      5.826300E+01           4.226100E-02
      2.902300E+01           4.936791E-01
      1.446500E+01           5.052818E-01
      6.934800E+00           1.184150E-01
      3.329900E+00           1.956700E-03
      1.560000E+00           1.964800E-03
Se    S
      1.501100E+07           4.000000E-07
      2.247500E+06           3.400000E-06
      5.114500E+05           1.810000E-05
      1.448700E+05           7.630000E-05
      4.726100E+04           2.781000E-04
      1.706200E+04           9.068000E-04
      6.654500E+03           2.699900E-03
      2.759800E+03           7.372600E-03
      1.203200E+03           1.833600E-02
      5.465300E+02           4.018120E-02
      2.566300E+02           7.248640E-02
      1.231400E+02           8.356260E-02
      5.826300E+01          -2.075920E-02
      2.902300E+01          -3.183535E-01
      1.446500E+01          -4.798333E-01
      6.934800E+00           5.928190E-02
      3.329900E+00           7.174116E-01
      1.560000E+00           4.638636E-01
Se    S
      1.501100E+07          -1.000000E-07
      2.247500E+06          -1.000000E-06
      5.114500E+05          -5.300000E-06
      1.448700E+05          -2.230000E-05
      4.726100E+04          -8.140000E-05
      1.706200E+04          -2.649000E-04
      6.654500E+03          -7.906000E-04
      2.759800E+03          -2.153900E-03
      1.203200E+03          -5.381200E-03
      5.465300E+02          -1.176940E-02
      2.566300E+02          -2.146290E-02
      1.231400E+02          -2.469040E-02
      5.826300E+01           5.777400E-03
      2.902300E+01           1.015209E-01
      1.446500E+01           1.578570E-01
      6.934800E+00          -2.242190E-02
      3.329900E+00          -3.290776E-01
      1.560000E+00          -3.873443E-01
Se    S
      4.929100E-01           1.000000E+00
Se    S
      2.352500E-01           1.000000E+00
Se    S
      1.003700E-01           1.000000E+00
Se    S
      0.0381520              1.0000000
Se    P
      2.521700E+04           6.100000E-05
      5.969900E+03           5.424000E-04
      1.938900E+03           3.117400E-03
      7.416600E+02           1.359770E-02
      3.145000E+02           4.727880E-02
      1.433100E+02           1.297856E-01
      6.865000E+01           2.657383E-01
      3.399500E+01           3.673544E-01
      1.718500E+01           2.747805E-01
      8.574000E+00           7.916790E-02
      4.220600E+00           5.134900E-03
      2.052100E+00           1.331900E-03
      9.615600E-01          -2.033000E-04
Se    P
      2.521700E+04          -2.410000E-05
      5.969900E+03          -2.152000E-04
      1.938900E+03          -1.238600E-03
      7.416600E+02          -5.460700E-03
      3.145000E+02          -1.929360E-02
      1.433100E+02          -5.497150E-02
      6.865000E+01          -1.177952E-01
      3.399500E+01          -1.740782E-01
      1.718500E+01          -9.557980E-02
      8.574000E+00           2.059714E-01
      4.220600E+00           4.735431E-01
      2.052100E+00           3.831922E-01
      9.615600E-01           9.208720E-02
Se    P
      2.521700E+04           5.800000E-06
      5.969900E+03           5.200000E-05
      1.938900E+03           2.998000E-04
      7.416600E+02           1.320100E-03
      3.145000E+02           4.685700E-03
      1.433100E+02           1.337370E-02
      6.865000E+01           2.892450E-02
      3.399500E+01           4.294540E-02
      1.718500E+01           2.232720E-02
      8.574000E+00          -6.360310E-02
      4.220600E+00          -1.436147E-01
      2.052100E+00          -1.447293E-01
      9.615600E-01           6.303800E-02
Se    P
      4.215100E-01           1.000000E+00
Se    P
      1.762600E-01           1.000000E+00
Se    P
      7.066300E-02           1.000000E+00
Se    P
      0.0265690              1.0000000
Se    D
      1.143400E+03           1.301000E-04
      3.453300E+02           1.257300E-03
      1.344600E+02           7.288200E-03
      5.956700E+01           2.886470E-02
      2.828300E+01           8.389870E-02
      1.406100E+01           1.819771E-01
      7.139000E+00           2.826057E-01
      3.614800E+00           3.220453E-01
      1.807200E+00           2.581633E-01
Se    D
      8.694400E-01           1.000000E+00
Se    D
      3.703600E-01           1.000000E+00
Se    D
      1.530000E-01           1.000000E+00
Se    D
      0.0619000              1.0000000
Se    F
      7.097000E-01           1.000000E+00
Se    F
      2.840000E-01           1.000000E+00
Se    F
      0.1240000              1.0000000
Se    G
      5.730000E-01           1.0000000
Se    G
      0.2630000              1.0000000
end
basis "Br_aug-cc-pv(q+d)z" 
#basis SET: (76s,43p,13d,3f,2g) -> [8s,7p,5d,3f,2g]
Br    S
      1.647500E+07           3.400000E-06
      2.466600E+06           2.670000E-05
      5.613100E+05           1.404000E-04
      1.589900E+05           5.927000E-04
      5.186900E+04           2.156100E-03
      1.872600E+04           6.995900E-03
      7.303600E+03           2.056450E-02
      3.029100E+03           5.458930E-02
      1.320800E+03           1.275226E-01
      6.000300E+02           2.459780E-01
      2.819000E+02           3.436508E-01
      1.355400E+02           2.702530E-01
      6.487000E+01           7.447950E-02
      3.212900E+01           8.787000E-04
      1.603700E+01           1.575500E-03
      7.784900E+00          -7.602000E-04
      3.724700E+00           3.211000E-04
      1.758300E+00          -1.586000E-04
Br    S
      1.647500E+07          -1.100000E-06
      2.466600E+06          -8.400000E-06
      5.613100E+05          -4.410000E-05
      1.589900E+05          -1.862000E-04
      5.186900E+04          -6.783000E-04
      1.872600E+04          -2.212200E-03
      7.303600E+03          -6.575200E-03
      3.029100E+03          -1.793280E-02
      1.320800E+03          -4.433210E-02
      6.000300E+02          -9.634780E-02
      2.819000E+02          -1.696814E-01
      1.355400E+02          -1.920769E-01
      6.487000E+01           2.087310E-02
      3.212900E+01           4.744996E-01
      1.603700E+01           5.214907E-01
      7.784900E+00           1.348001E-01
      3.724700E+00           3.661400E-03
      1.758300E+00           1.884000E-03
Br    S
      1.647500E+07           4.000000E-07
      2.466600E+06           3.300000E-06
      5.613100E+05           1.750000E-05
      1.589900E+05           7.400000E-05
      5.186900E+04           2.697000E-04
      1.872600E+04           8.799000E-04
      7.303600E+03           2.619800E-03
      3.029100E+03           7.167100E-03
      1.320800E+03           1.785610E-02
      6.000300E+02           3.939600E-02
      2.819000E+02           7.171020E-02
      1.355400E+02           8.588770E-02
      6.487000E+01          -1.038610E-02
      3.212900E+01          -3.040135E-01
      1.603700E+01          -4.933178E-01
      7.784900E+00           1.608900E-02
      3.724700E+00           7.146686E-01
      1.758300E+00           4.904795E-01
Br    S
      1.647500E+07          -1.000000E-07
      2.466600E+06          -1.000000E-06
      5.613100E+05          -5.400000E-06
      1.589900E+05          -2.270000E-05
      5.186900E+04          -8.270000E-05
      1.872600E+04          -2.694000E-04
      7.303600E+03          -8.042000E-04
      3.029100E+03          -2.194900E-03
      1.320800E+03          -5.493900E-03
      6.000300E+02          -1.209600E-02
      2.819000E+02          -2.226230E-02
      1.355400E+02          -2.660630E-02
      6.487000E+01           2.758000E-03
      3.212900E+01           1.016803E-01
      1.603700E+01           1.704132E-01
      7.784900E+00          -6.222000E-03
      3.724700E+00          -3.452570E-01
      1.758300E+00          -4.234840E-01
Br    S
      5.833100E-01           1.000000E+00
Br    S
      2.785600E-01           1.000000E+00
Br    S
      1.182900E-01           1.000000E+00
Br    S
      0.0442700              1.0000000
Br    P
      2.660700E+04           6.190000E-05
      6.298200E+03           5.499000E-04
      2.045200E+03           3.162000E-03
      7.821600E+02           1.379790E-02
      3.316300E+02           4.798120E-02
      1.511100E+02           1.315710E-01
      7.239200E+01           2.685861E-01
      3.586200E+01           3.683473E-01
      1.813400E+01           2.711363E-01
      9.043000E+00           7.622220E-02
      4.450000E+00           4.674900E-03
      2.166100E+00           1.256500E-03
      9.962800E-01          -2.357000E-04
Br    P
      2.660700E+04          -2.480000E-05
      6.298200E+03          -2.212000E-04
      2.045200E+03          -1.273600E-03
      7.821600E+02          -5.617900E-03
      3.316300E+02          -1.986000E-02
      1.511100E+02          -5.655310E-02
      7.239200E+01          -1.209479E-01
      3.586200E+01          -1.773098E-01
      1.813400E+01          -9.214720E-02
      9.043000E+00           2.187683E-01
      4.450000E+00           4.854670E-01
      2.166100E+00           3.721970E-01
      9.962800E-01           7.769070E-02
Br    P
      2.660700E+04           6.400000E-06
      6.298200E+03           5.720000E-05
      2.045200E+03           3.297000E-04
      7.821600E+02           1.456200E-03
      3.316300E+02           5.159100E-03
      1.511100E+02           1.476170E-02
      7.239200E+01           3.176940E-02
      3.586200E+01           4.706800E-02
      1.813400E+01           2.238710E-02
      9.043000E+00          -7.202540E-02
      4.450000E+00          -1.626429E-01
      2.166100E+00          -1.496503E-01
      9.962800E-01           1.064517E-01
Br    P
      4.544300E-01           1.000000E+00
Br    P
      1.940400E-01           1.000000E+00
Br    P
      7.899700E-02           1.000000E+00
Br    P
      0.0305130              1.0000000
Br    D
      1.289600E+03           1.190000E-04
      3.897500E+02           1.155100E-03
      1.517600E+02           6.764800E-03
      6.722300E+01           2.730170E-02
      3.191300E+01           8.092980E-02
      1.585700E+01           1.794011E-01
      8.054500E+00           2.840086E-01
      4.088700E+00           3.266797E-01
      2.055600E+00           2.584900E-01
Br    D
      9.950900E-01           1.000000E+00
Br    D
      4.231300E-01           1.000000E+00
Br    D
      1.779000E-01           1.000000E+00
Br    D
      0.0829000              1.0000000
Br    F
      8.257000E-01           1.000000E+00
Br    F
      3.407000E-01           1.000000E+00
Br    F
      0.1748000              1.0000000
Br    G
      6.491000E-01           1.0000000
Br    G
      0.3110000              1.0000000
end
basis "Kr_aug-cc-pv(q+d)z" 
#basis SET: (76s,43p,13d,3f,2g) -> [8s,7p,5d,3f,2g]
Kr    S
      1.822611E+07           3.200000E-06
      2.728802E+06           2.520000E-05
      6.209977E+05           1.328000E-04
      1.758996E+05           5.607000E-04
      5.738750E+04           2.040100E-03
      2.071718E+04           6.623500E-03
      8.078890E+03           1.949960E-02
      3.349517E+03           5.193640E-02
      1.459781E+03           1.221166E-01
      6.628939E+02           2.383653E-01
      3.113922E+02           3.407051E-01
      1.499375E+02           2.792855E-01
      7.249825E+01           8.409920E-02
      3.556935E+01           2.504200E-03
      1.776663E+01           1.357400E-03
      8.712383E+00          -6.591000E-04
      4.144971E+00           2.701000E-04
      1.969649E+00          -1.436000E-04
Kr    S
      1.822611E+07          -1.000000E-06
      2.728802E+06          -7.900000E-06
      6.209977E+05          -4.180000E-05
      1.758996E+05          -1.766000E-04
      5.738750E+04          -6.434000E-04
      2.071718E+04          -2.099900E-03
      8.078890E+03          -6.245300E-03
      3.349517E+03          -1.708040E-02
      1.459781E+03          -4.238150E-02
      6.628939E+02          -9.286790E-02
      3.113922E+02          -1.657390E-01
      1.499375E+02          -1.955088E-01
      7.249825E+01          -1.640900E-03
      3.556935E+01           4.530071E-01
      1.776663E+01           5.370751E-01
      8.712383E+00           1.528971E-01
      4.144971E+00           5.741100E-03
      1.969649E+00           1.741400E-03
Kr    S
      1.822611E+07           4.000000E-07
      2.728802E+06           3.200000E-06
      6.209977E+05           1.680000E-05
      1.758996E+05           7.090000E-05
      5.738750E+04           2.582000E-04
      2.071718E+04           8.433000E-04
      8.078890E+03           2.511500E-03
      3.349517E+03           6.892100E-03
      1.459781E+03           1.722200E-02
      6.628939E+02           3.831590E-02
      3.113922E+02           7.054380E-02
      1.499375E+02           8.807170E-02
      7.249825E+01           6.328000E-04
      3.556935E+01          -2.881065E-01
      1.776663E+01          -5.049797E-01
      8.712383E+00          -2.677730E-02
      4.144971E+00           7.098718E-01
      1.969649E+00           5.158020E-01
Kr    S
      1.822611E+07          -1.000000E-07
      2.728802E+06          -1.000000E-06
      6.209977E+05          -5.300000E-06
      1.758996E+05          -2.260000E-05
      5.738750E+04          -8.230000E-05
      2.071718E+04          -2.684000E-04
      8.078890E+03          -8.014000E-04
      3.349517E+03          -2.193700E-03
      1.459781E+03          -5.507400E-03
      6.628939E+02          -1.222660E-02
      3.113922E+02          -2.276170E-02
      1.499375E+02          -2.836060E-02
      7.249825E+01          -7.565000E-04
      3.556935E+01           1.001365E-01
      1.776663E+01           1.815332E-01
      8.712383E+00           1.118670E-02
      4.144971E+00          -3.575843E-01
      1.969649E+00          -4.572305E-01
Kr    S
      6.799520E-01           1.000000E+00
Kr    S
      3.245020E-01           1.000000E+00
Kr    S
      1.374410E-01           1.000000E+00
Kr    S
      0.0503880              1.0000000
Kr    P
      2.860083E+04           6.050000E-05
      6.770991E+03           5.378000E-04
      2.199049E+03           3.093400E-03
      8.411796E+02           1.351500E-02
      3.567663E+02           4.709590E-02
      1.626362E+02           1.296200E-01
      7.796604E+01           2.661108E-01
      3.866149E+01           3.678058E-01
      1.957679E+01           2.740372E-01
      9.791761E+00           7.871130E-02
      4.835383E+00           4.984200E-03
      2.368125E+00           1.226700E-03
      1.089996E+00          -2.448000E-04
Kr    P
      2.860083E+04          -2.460000E-05
      6.770991E+03          -2.192000E-04
      2.199049E+03          -1.262800E-03
      8.411796E+02          -5.575600E-03
      3.567663E+02          -1.975460E-02
      1.626362E+02          -5.644880E-02
      7.796604E+01          -1.214923E-01
      3.866149E+01          -1.794907E-01
      1.957679E+01          -9.623140E-02
      9.791761E+00           2.163190E-01
      4.835383E+00           4.899721E-01
      2.368125E+00           3.726758E-01
      1.089996E+00           7.500880E-02
Kr    P
      2.860083E+04           6.700000E-06
      6.770991E+03           5.960000E-05
      2.199049E+03           3.432000E-04
      8.411796E+02           1.519000E-03
      3.567663E+02           5.388100E-03
      1.626362E+02           1.549350E-02
      7.796604E+01           3.351760E-02
      3.866149E+01           5.019110E-02
      1.957679E+01           2.445500E-02
      9.791761E+00          -7.529530E-02
      4.835383E+00          -1.760534E-01
      2.368125E+00          -1.570724E-01
      1.089996E+00           1.304579E-01
Kr    P
      5.045880E-01           1.000000E+00
Kr    P
      2.184550E-01           1.000000E+00
Kr    P
      8.995900E-02           1.000000E+00
Kr    P
      0.0344570              1.0000000
Kr    D
      1.437779E+03           1.108000E-04
      4.342685E+02           1.082800E-03
      1.689270E+02           6.406500E-03
      7.477754E+01           2.623790E-02
      3.551602E+01           7.882350E-02
      1.767105E+01           1.770677E-01
      9.004611E+00           2.839622E-01
      4.594773E+00           3.294702E-01
      2.326486E+00           2.589001E-01
Kr    D
      1.133247E+00           1.000000E+00
Kr    D
      4.813070E-01           1.000000E+00
Kr    D
      2.053000E-01           1.000000E+00
Kr    D
      0.1039000              1.0000000
Kr    F
      9.557000E-01           1.000000E+00
Kr    F
      4.130000E-01           1.000000E+00
Kr    F
      0.2256000              1.0000000
Kr    G
      7.395000E-01           1.0000000
Kr    G
      0.3590000              1.0000000
end
