# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# aug-seg-cc-pV5Z-PP version number 1
# Description: aug-seg-cc-pV5Z-PP
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  Y-Cd,Hf-Hg
#      aug-seg-cc-pV5Z-PP
#          schoendorff2022a
# 
# 
# 
# schoendorff2022a
#     Schoendorff, George, Boatz, Jerry A.
#     Segmented correlation consistent basis sets for the 4d and 5d
#             transition metals
#     J. Chem. Phys. 156, 064102 (2022)
#     10.1063/5.0080377
# 
# # 
basis "Y_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Y    S
      1.40798000E+04         1.44050326E-05
      2.24738000E+03         1.04504647E-04
      5.20237000E+02         4.78334099E-04
      1.50811000E+02         1.57232724E-03
      2.45030000E+01         5.53049037E-02
      1.52418000E+01        -4.37821289E-01
      9.50084000E+00         1.36789684E+00
Y    S
      3.82372000E+00         4.82075139E-01
      2.27586000E+00         5.30297407E-01
Y    S
      1.06441000E+00         3.32878942E-01
      5.85549000E-01         6.81505489E-01
Y    S
      3.05302000E-01         1.00000000E+00
Y    S
      1.20972000E-01         1.00000000E+00
Y    S
      6.63880000E-02         1.00000000E+00
Y    S
      3.28380000E-02         1.00000000E+00
Y    S
      1.63780000E-02         1.00000000E+00
Y    S
      8.200000E-03           1.000000E+00
Y    P
      7.79108000E+01         8.70388944E-04
      1.37037000E+01        -1.60391238E-02
      8.55600000E+00         2.51794691E-01
      5.34335000E+00        -5.27525079E-01
      3.13096000E+00        -6.91744767E-01
      1.24813000E+00         1.46916608E+00
Y    P
      7.05707000E-01         5.57430641E-01
      3.92040000E-01         4.68611618E-01
Y    P
      2.12865000E-01         1.00000000E+00
Y    P
      1.07042000E-01         1.00000000E+00
Y    P
      5.43460000E-02         1.00000000E+00
Y    P
      2.77480000E-02         1.00000000E+00
Y    P
      1.42710000E-02         1.00000000E+00
Y    P
      7.300000E-03           1.000000E+00
Y    D
      4.54024000E+01         4.10136914E-04
      1.29334000E+01         3.75617057E-03
      4.80065000E+00        -2.32410918E-02
      1.85934000E+00         1.03754386E-01
      1.11697000E+00         3.39384878E-01
      6.43709000E-01         6.16080329E-01
Y    D
      3.52349000E-01         1.00000000E+00
Y    D
      1.85368000E-01         1.00000000E+00
Y    D
      9.31220000E-02         1.00000000E+00
Y    D
      4.45400000E-02         1.00000000E+00
Y    D
      2.00680000E-02         1.00000000E+00
Y    D
      9.000000E-03           1.000000E+00
Y    F
      1.64580000E+00         1.00000000E+00
Y    F
      5.73500000E-01         1.00000000E+00
Y    F
      1.99900000E-01         1.00000000E+00
Y    F
      6.97000000E-02         1.00000000E+00
Y    F
      2.390000E-02           1.000000E+00
Y    G
      9.32600000E-01         1.00000000E+00
Y    G
      3.35800000E-01         1.00000000E+00
Y    G
      1.20900000E-01         1.00000000E+00
Y    G
      3.850000E-02           1.000000E+00
Y    H
      6.71000000E-01         1.00000000E+00
Y    H
      2.24200000E-01         1.00000000E+00
Y    H
      7.190000E-02           1.000000E+00
Y    I
      3.99300000E-01         1.00000000E+00
Y    I
      1.184000E-01           1.000000E+00
end


ecp "Y_aug-seg-cc-pV5Z-PP"
Y nelec 28
Y ul
2       1.0000000              0.0000000
Y S
2       7.85827500           135.13497400
2       3.38212800            15.41163200
Y P
2       6.84979100            29.25143700
2       6.71009200            58.50836300
2       3.04215900             3.78024300
2       2.93733000             7.67654700
Y D
2       5.41631500            11.84991100
2       5.33341600            17.77810300
2       1.97621200             2.06238300
2       1.96111100             3.07565000
Y F
2       5.02859000            -6.92807800
2       5.00558200            -9.15509900
end
basis "Zr_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Zr    S
      1.54375000E+04         1.74855392E-05
      2.46597000E+03         1.09018680E-04
      5.78651000E+02         4.95968127E-04
      1.62735000E+02         1.68443932E-03
      2.65335000E+01         5.49403014E-02
      1.65704000E+01        -4.38511271E-01
      1.03303000E+01         1.36873889E+00
Zr    S
      4.14810000E+00         4.74080852E-01
      2.51613000E+00         5.37400071E-01
Zr    S
      1.16597000E+00         3.45184408E-01
      6.45125000E-01         6.69194153E-01
Zr    S
      3.37010000E-01         1.00000000E+00
Zr    S
      1.36597000E-01         1.00000000E+00
Zr    S
      7.26290000E-02         1.00000000E+00
Zr    S
      3.58930000E-02         1.00000000E+00
Zr    S
      1.78820000E-02         1.00000000E+00
Zr    S
      8.900000E-03           1.000000E+00
Zr    P
      8.66065000E+01         8.32117722E-04
      1.51555000E+01        -1.65591427E-02
      9.46580000E+00         2.46372226E-01
      5.91252000E+00        -5.01725380E-01
      3.45337000E+00        -6.97950626E-01
      1.37611000E+00         1.47215295E+00
Zr    P
      7.76866000E-01         5.69757372E-01
      4.27372000E-01         4.57003741E-01
Zr    P
      2.27706000E-01         1.00000000E+00
Zr    P
      1.15364000E-01         1.00000000E+00
Zr    P
      5.94000000E-02         1.00000000E+00
Zr    P
      3.08990000E-02         1.00000000E+00
Zr    P
      1.58570000E-02         1.00000000E+00
Zr    P
      8.100000E-03           1.000000E+00
Zr    D
      4.95067000E+01         4.30301534E-04
      1.39303000E+01         3.98727460E-03
      5.26039000E+00        -2.67625201E-02
      2.03319000E+00         1.17232020E-01
      1.21917000E+00         3.50558836E-01
      7.11102000E-01         5.93933472E-01
Zr    D
      3.89928000E-01         1.00000000E+00
Zr    D
      2.02376000E-01         1.00000000E+00
Zr    D
      1.01870000E-01         1.00000000E+00
Zr    D
      5.03430000E-02         1.00000000E+00
Zr    D
      2.37770000E-02         1.00000000E+00
Zr    D
      1.120000E-02           1.000000E+00
Zr    F
      2.38420000E+00         1.00000000E+00
Zr    F
      8.47500000E-01         1.00000000E+00
Zr    F
      3.01300000E-01         1.00000000E+00
Zr    F
      1.07100000E-01         1.00000000E+00
Zr    F
      3.810000E-02           1.000000E+00
Zr    G
      1.24100000E+00         1.00000000E+00
Zr    G
      4.61500000E-01         1.00000000E+00
Zr    G
      1.71600000E-01         1.00000000E+00
Zr    G
      5.950000E-02           1.000000E+00
Zr    H
      9.25700000E-01         1.00000000E+00
Zr    H
      3.11800000E-01         1.00000000E+00
Zr    H
      1.093000E-01           1.000000E+00
Zr    I
      5.87700000E-01         1.00000000E+00
Zr    I
      2.013000E-01           1.000000E+00
end


ecp "Zr_aug-seg-cc-pV5Z-PP"
Zr nelec 28
Zr ul
2       1.0000000              0.0000000
Zr S
2       8.63652800           150.24299400
2       3.71763900            18.78003600
Zr P
2       7.62672800            33.19279100
2       7.45320700            66.38903900
2       3.35838900             4.62072600
2       3.22973800             9.26027000
Zr D
2       5.93808600            13.99338300
2       5.82554400            20.99588200
2       2.20501900             2.28516600
2       2.20629200             3.44126000
Zr F
2       4.80021500            -5.23932000
2       4.79899200            -6.98742400
end
basis "Nb_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Nb    S
      1.67244000E+04         1.54602999E-05
      2.80257000E+03         1.07679205E-04
      6.20606000E+02         5.55932883E-04
      1.69994000E+02         1.75218547E-03
      2.89091000E+01         5.35969066E-02
      1.79890000E+01        -4.20422080E-01
      1.10810000E+01         1.35205960E+00
Nb    S
      4.50841000E+00         4.61971750E-01
      2.77404000E+00         5.48833849E-01
Nb    S
      1.27858000E+00         3.54041044E-01
      7.10482000E-01         6.60309534E-01
Nb    S
      3.71244000E-01         1.00000000E+00
Nb    S
      1.53762000E-01         1.00000000E+00
Nb    S
      7.99430000E-02         1.00000000E+00
Nb    S
      3.90490000E-02         1.00000000E+00
Nb    S
      1.92340000E-02         1.00000000E+00
Nb    S
      9.500000E-03           1.000000E+00
Nb    P
      9.45740000E+01         8.07405027E-04
      1.65451000E+01        -1.77572246E-02
      1.03353000E+01         2.48612517E-01
      6.45568000E+00        -4.92738819E-01
      3.78185000E+00        -7.06445283E-01
      1.51009000E+00         1.47806294E+00
Nb    P
      8.52913000E-01         5.79892561E-01
      4.70551000E-01         4.46485656E-01
Nb    P
      2.52507000E-01         1.00000000E+00
Nb    P
      1.27712000E-01         1.00000000E+00
Nb    P
      6.54580000E-02         1.00000000E+00
Nb    P
      3.37640000E-02         1.00000000E+00
Nb    P
      1.71550000E-02         1.00000000E+00
Nb    P
      8.700000E-03           1.000000E+00
Nb    D
      1.12084000E+02         1.56417413E-04
      3.37714000E+01         1.28113309E-03
      1.24751000E+01         8.24543217E-03
      6.32939000E+00        -3.63149093E-02
      2.02144000E+00         2.83484215E-01
      1.12328000E+00         7.57995057E-01
Nb    D
      5.99181000E-01         1.00000000E+00
Nb    D
      3.09894000E-01         1.00000000E+00
Nb    D
      1.54709000E-01         1.00000000E+00
Nb    D
      7.40910000E-02         1.00000000E+00
Nb    D
      3.32330000E-02         1.00000000E+00
Nb    D
      1.490000E-02           1.000000E+00
Nb    F
      3.17440000E+00         1.00000000E+00
Nb    F
      1.13920000E+00         1.00000000E+00
Nb    F
      4.08800000E-01         1.00000000E+00
Nb    F
      1.46700000E-01         1.00000000E+00
Nb    F
      5.320000E-02           1.000000E+00
Nb    G
      1.54630000E+00         1.00000000E+00
Nb    G
      5.93100000E-01         1.00000000E+00
Nb    G
      2.27500000E-01         1.00000000E+00
Nb    G
      8.350000E-02           1.000000E+00
Nb    H
      1.18290000E+00         1.00000000E+00
Nb    H
      4.02200000E-01         1.00000000E+00
Nb    H
      1.491000E-01           1.000000E+00
Nb    I
      7.95200000E-01         1.00000000E+00
Nb    I
      3.031000E-01           1.000000E+00
end


ecp "Nb_aug-seg-cc-pV5Z-PP"
Nb nelec 28
Nb ul
2       1.0000000              0.0000000
Nb S
2       9.37657800           165.15673600
2       4.04357200            21.82395100
Nb P
2       8.36360900            37.24928400
2       8.16689800            74.50738900
2       3.69307500             5.43948600
2       3.55104700            10.91325200
Nb D
2       6.68910800            15.21454900
2       6.53719300            22.83350800
2       2.55111800             3.00005200
2       2.56789600             4.55373400
Nb F
2       5.56828500            -6.28135400
2       5.67137200            -8.75564400
end
basis "Mo_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Mo    S
      1.79463000E+04         1.52201875E-05
      3.31227000E+03         1.05256939E-04
      6.81626000E+02         5.99325567E-04
      1.80162000E+02         1.90355591E-03
      3.06673000E+01         5.44304093E-02
      1.91509000E+01        -4.31592033E-01
      1.18941000E+01         1.36231489E+00
Mo    S
      4.89814000E+00         4.50404796E-01
      3.04885000E+00         5.59854554E-01
Mo    S
      1.39817000E+00         3.57089316E-01
      7.82032000E-01         6.57009587E-01
Mo    S
      4.09074000E-01         1.00000000E+00
Mo    S
      1.70545000E-01         1.00000000E+00
Mo    S
      8.79630000E-02         1.00000000E+00
Mo    S
      4.26100000E-02         1.00000000E+00
Mo    S
      2.08110000E-02         1.00000000E+00
Mo    S
      1.020000E-02           1.000000E+00
Mo    P
      1.02209000E+02         8.22693193E-04
      1.80149000E+01        -1.87618219E-02
      1.12538000E+01         2.49568673E-01
      7.03000000E+00        -4.76201323E-01
      4.15831000E+00        -7.22782902E-01
      1.64811000E+00         1.47987045E+00
Mo    P
      9.37961000E-01         5.81690308E-01
      5.20057000E-01         4.44231596E-01
Mo    P
      2.79194000E-01         1.00000000E+00
Mo    P
      1.41109000E-01         1.00000000E+00
Mo    P
      7.20550000E-02         1.00000000E+00
Mo    P
      3.68770000E-02         1.00000000E+00
Mo    P
      1.85410000E-02         1.00000000E+00
Mo    P
      9.300000E-03           1.000000E+00
Mo    D
      1.21694000E+02         1.44967249E-04
      3.79153000E+01         1.08219737E-03
      1.38001000E+01         8.26650451E-03
      7.03411000E+00        -4.36654839E-02
      2.22961000E+00         2.93231660E-01
      1.23326000E+00         7.51965347E-01
Mo    D
      6.58015000E-01         1.00000000E+00
Mo    D
      3.40849000E-01         1.00000000E+00
Mo    D
      1.70237000E-01         1.00000000E+00
Mo    D
      8.14650000E-02         1.00000000E+00
Mo    D
      3.64040000E-02         1.00000000E+00
Mo    D
      1.630000E-02           1.000000E+00
Mo    F
      3.74830000E+00         1.00000000E+00
Mo    F
      1.36010000E+00         1.00000000E+00
Mo    F
      4.93500000E-01         1.00000000E+00
Mo    F
      1.79100000E-01         1.00000000E+00
Mo    F
      6.550000E-02           1.000000E+00
Mo    G
      1.80890000E+00         1.00000000E+00
Mo    G
      7.02800000E-01         1.00000000E+00
Mo    G
      2.73100000E-01         1.00000000E+00
Mo    G
      1.025000E-01           1.000000E+00
Mo    H
      1.43590000E+00         1.00000000E+00
Mo    H
      4.98900000E-01         1.00000000E+00
Mo    H
      1.932000E-01           1.000000E+00
Mo    I
      1.05040000E+00         1.00000000E+00
Mo    I
      4.412000E-01           1.000000E+00
end


ecp "Mo_aug-seg-cc-pV5Z-PP"
Mo nelec 28
Mo ul
2       1.0000000              0.0000000
Mo S
2      10.09700000           180.07685300
2       4.37567000            24.71592000
Mo P
2       9.12656400            41.22767800
2       8.86322300            82.45267000
2       4.04494800             6.34509200
2       3.86665700            12.45842300
Mo D
2       7.53575400            19.30874400
2       7.27897600            28.97767400
2       2.76320500             3.18951600
2       2.77208500             4.70016900
Mo F
2       6.30663300            -7.17888800
2       6.35644800            -9.74597800
end
basis "Tc_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Tc    S
      1.72061000E+04         2.18213835E-05
      2.99256000E+03         1.34397100E-04
      7.36991000E+02         6.14364993E-04
      2.05553000E+02         2.05481933E-03
      3.32151000E+01         6.06202719E-02
      2.06748000E+01        -4.62426948E-01
      1.29128000E+01         1.38656310E+00
Tc    S
      4.92960000E+00         5.71528476E-01
      3.07800000E+00         4.38540295E-01
Tc    S
      1.43307000E+00         4.22117535E-01
      7.85094000E-01         5.93977558E-01
Tc    S
      4.10958000E-01         1.00000000E+00
Tc    S
      1.63552000E-01         1.00000000E+00
Tc    S
      8.31080000E-02         1.00000000E+00
Tc    S
      4.12910000E-02         1.00000000E+00
Tc    S
      2.06960000E-02         1.00000000E+00
Tc    S
      1.040000E-02           1.000000E+00
Tc    P
      1.10094000E+02         8.80231016E-04
      1.93763000E+01        -1.99556171E-02
      1.21039000E+01         2.63534481E-01
      7.56059000E+00        -5.02311072E-01
      4.48807000E+00        -7.50552932E-01
      1.80957000E+00         1.50057661E+00
Tc    P
      1.03657000E+00         5.81494197E-01
      5.79218000E-01         4.43765496E-01
Tc    P
      3.13745000E-01         1.00000000E+00
Tc    P
      1.56850000E-01         1.00000000E+00
Tc    P
      7.91520000E-02         1.00000000E+00
Tc    P
      3.99360000E-02         1.00000000E+00
Tc    P
      1.98050000E-02         1.00000000E+00
Tc    P
      9.800000E-03           1.000000E+00
Tc    D
      1.47879000E+02         1.19798730E-04
      4.45973000E+01         9.86763222E-04
      1.58122000E+01         7.56623557E-03
      7.74411000E+00        -4.25159387E-02
      2.43730000E+00         3.00474130E-01
      1.35418000E+00         7.44508122E-01
Tc    D
      7.24075000E-01         1.00000000E+00
Tc    D
      3.75740000E-01         1.00000000E+00
Tc    D
      1.88151000E-01         1.00000000E+00
Tc    D
      9.02200000E-02         1.00000000E+00
Tc    D
      4.03970000E-02         1.00000000E+00
Tc    D
      1.810000E-02           1.000000E+00
Tc    F
      4.24180000E+00         1.00000000E+00
Tc    F
      1.56140000E+00         1.00000000E+00
Tc    F
      5.74800000E-01         1.00000000E+00
Tc    F
      2.11600000E-01         1.00000000E+00
Tc    F
      7.790000E-02           1.000000E+00
Tc    G
      2.09380000E+00         1.00000000E+00
Tc    G
      8.34100000E-01         1.00000000E+00
Tc    G
      3.32200000E-01         1.00000000E+00
Tc    G
      1.284000E-01           1.000000E+00
Tc    H
      1.68540000E+00         1.00000000E+00
Tc    H
      6.02400000E-01         1.00000000E+00
Tc    H
      2.422000E-01           1.000000E+00
Tc    I
      1.27960000E+00         1.00000000E+00
Tc    I
      5.725000E-01           1.000000E+00
end


ecp "Tc_aug-seg-cc-pV5Z-PP"
Tc nelec 28
Tc ul
2       1.0000000              0.0000000
Tc S
2      10.79936900           195.09130300
2       4.70725700            27.34041300
Tc P
2       9.82669900            45.06081200
2       9.56111500            90.11729500
2       4.37857800             7.07051700
2       4.19090700            14.04801900
Tc D
2       8.33604500            21.65775500
2       8.24453300            32.47195900
2       3.09370700             3.78952500
2       3.16872200             6.05343000
Tc F
2       7.04094000            -7.99562300
2       7.06947300           -10.74569600
end
basis "Ru_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Ru    S
      1.92998000E+04         2.29216485E-05
      3.17737000E+03         1.49362484E-04
      7.65833000E+02         6.89226869E-04
      2.11496000E+02         2.23935284E-03
      3.50757000E+01         6.04878036E-02
      2.19030000E+01        -4.59263064E-01
      1.36802000E+01         1.38358580E+00
Ru    S
      5.31509000E+00         5.69241222E-01
      3.31349000E+00         4.40906312E-01
Ru    S
      1.58143000E+00         4.15949053E-01
      8.64369000E-01         6.00194069E-01
Ru    S
      4.50612000E-01         1.00000000E+00
Ru    S
      1.78936000E-01         1.00000000E+00
Ru    S
      9.12570000E-02         1.00000000E+00
Ru    S
      4.51000000E-02         1.00000000E+00
Ru    S
      2.23550000E-02         1.00000000E+00
Ru    S
      1.110000E-02           1.000000E+00
Ru    P
      1.17237000E+02         9.67996608E-04
      2.07333000E+01        -2.14600885E-02
      1.29507000E+01         2.79983112E-01
      8.08995000E+00        -5.29296016E-01
      4.84908000E+00        -7.82407316E-01
      1.97788000E+00         1.51906972E+00
Ru    P
      1.14555000E+00         5.77787061E-01
      6.48227000E-01         4.46461811E-01
Ru    P
      3.55144000E-01         1.00000000E+00
Ru    P
      1.74413000E-01         1.00000000E+00
Ru    P
      8.69520000E-02         1.00000000E+00
Ru    P
      4.31790000E-02         1.00000000E+00
Ru    P
      2.10170000E-02         1.00000000E+00
Ru    P
      1.020000E-02           1.000000E+00
Ru    D
      1.26394000E+02         1.87854157E-04
      3.84493000E+01         1.35436787E-03
      1.40214000E+01         1.41557197E-02
      8.71683000E+00        -5.97921601E-02
      2.68144000E+00         3.11328876E-01
      1.49043000E+00         7.38442570E-01
Ru    D
      8.00533000E-01         1.00000000E+00
Ru    D
      4.15727000E-01         1.00000000E+00
Ru    D
      2.07737000E-01         1.00000000E+00
Ru    D
      9.94320000E-02         1.00000000E+00
Ru    D
      4.45150000E-02         1.00000000E+00
Ru    D
      1.990000E-02           1.000000E+00
Ru    F
      4.74480000E+00         1.00000000E+00
Ru    F
      1.77240000E+00         1.00000000E+00
Ru    F
      6.62100000E-01         1.00000000E+00
Ru    F
      2.47300000E-01         1.00000000E+00
Ru    F
      9.210000E-02           1.000000E+00
Ru    G
      2.41160000E+00         1.00000000E+00
Ru    G
      9.82400000E-01         1.00000000E+00
Ru    G
      4.00200000E-01         1.00000000E+00
Ru    G
      1.590000E-01           1.000000E+00
Ru    H
      1.95950000E+00         1.00000000E+00
Ru    H
      7.18200000E-01         1.00000000E+00
Ru    H
      2.989000E-01           1.000000E+00
Ru    I
      1.52110000E+00         1.00000000E+00
Ru    I
      7.186000E-01           1.000000E+00
end


ecp "Ru_aug-seg-cc-pV5Z-PP"
Ru nelec 28
Ru ul
2       1.0000000              0.0000000
Ru S
2      11.50059000           209.78649300
2       5.06857500            30.21430700
Ru P
2      10.53263400            48.75124400
2      10.19201000            97.49652900
2       4.73489200             7.86018800
2       4.50906500            15.32975100
Ru D
2       8.87797700            26.96750600
2       8.76612200            40.43230300
2       3.17019600             3.34075800
2       3.22885100             5.25635200
Ru F
2       7.82024900            -8.84752500
2       7.83964700           -11.83551800
end
basis "Rh_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Rh    S
      2.18327000E+04         2.38273677E-05
      3.38997000E+03         1.65773206E-04
      7.81070000E+02         7.79040614E-04
      2.16019000E+02         2.41443615E-03
      3.71478000E+01         5.80693483E-02
      2.31083000E+01        -4.49550480E-01
      1.44317000E+01         1.37645596E+00
Rh    S
      5.83018000E+00         5.34135948E-01
      3.64144000E+00         4.76065584E-01
Rh    S
      1.74436000E+00         4.04553289E-01
      9.54483000E-01         6.11385913E-01
Rh    S
      4.95722000E-01         1.00000000E+00
Rh    S
      1.97217000E-01         1.00000000E+00
Rh    S
      1.00783000E-01         1.00000000E+00
Rh    S
      4.93120000E-02         1.00000000E+00
Rh    S
      2.41430000E-02         1.00000000E+00
Rh    S
      1.180000E-02           1.000000E+00
Rh    P
      1.26895000E+02         8.89620288E-04
      2.21563000E+01        -1.95565680E-02
      1.38416000E+01         2.57507378E-01
      8.64985000E+00        -4.86240314E-01
      5.23565000E+00        -7.00065827E-01
      2.09601000E+00         1.48813370E+00
Rh    P
      1.18561000E+00         6.01795516E-01
      6.54846000E-01         4.24120725E-01
Rh    P
      3.50795000E-01         1.00000000E+00
Rh    P
      1.76832000E-01         1.00000000E+00
Rh    P
      8.93810000E-02         1.00000000E+00
Rh    P
      4.49290000E-02         1.00000000E+00
Rh    P
      2.21180000E-02         1.00000000E+00
Rh    P
      1.090000E-02           1.000000E+00
Rh    D
      1.69531000E+02         1.52213469E-04
      5.12417000E+01         1.22666149E-03
      1.80404000E+01         9.07908575E-03
      8.58804000E+00        -4.97588815E-02
      2.94967000E+00         3.08250183E-01
      1.65442000E+00         7.40754309E-01
Rh    D
      8.90426000E-01         1.00000000E+00
Rh    D
      4.63373000E-01         1.00000000E+00
Rh    D
      2.32363000E-01         1.00000000E+00
Rh    D
      1.11508000E-01         1.00000000E+00
Rh    D
      4.98560000E-02         1.00000000E+00
Rh    D
      2.230000E-02           1.000000E+00
Rh    F
      5.38970000E+00         1.00000000E+00
Rh    F
      2.02810000E+00         1.00000000E+00
Rh    F
      7.63100000E-01         1.00000000E+00
Rh    F
      2.87200000E-01         1.00000000E+00
Rh    F
      1.078000E-01           1.000000E+00
Rh    G
      2.73140000E+00         1.00000000E+00
Rh    G
      1.13060000E+00         1.00000000E+00
Rh    G
      4.68000000E-01         1.00000000E+00
Rh    G
      1.889000E-01           1.000000E+00
Rh    H
      2.23440000E+00         1.00000000E+00
Rh    H
      8.33200000E-01         1.00000000E+00
Rh    H
      3.545000E-01           1.000000E+00
Rh    I
      1.75620000E+00         1.00000000E+00
Rh    I
      8.663000E-01           1.000000E+00
end


ecp "Rh_aug-seg-cc-pV5Z-PP"
Rh nelec 28
Rh ul
2       1.0000000              0.0000000
Rh S
2      12.19481600           225.31205400
2       5.40513700            32.44158200
Rh P
2      11.28075500            52.87282600
2      10.92724800           105.74552600
2       5.09011700             8.61934400
2       4.85183200            16.97345900
Rh D
2       9.13633700            25.10850100
2       8.96480800            37.69573100
2       3.64361200             4.20258400
2       3.63600700             6.29279000
Rh F
2       8.61622800            -9.67356800
2       8.62943500           -12.89984700
end
basis "Pd_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Pd    S
      2.32058000E+04         2.48425990E-05
      3.77139000E+03         1.63055482E-04
      8.44999000E+02         8.10136074E-04
      2.25944000E+02         2.55352976E-03
      3.88963000E+01         5.59166435E-02
      2.41744000E+01        -4.33270899E-01
      1.50365000E+01         1.36265825E+00
Pd    S
      6.37339000E+00         5.10364260E-01
      3.98044000E+00         4.99873516E-01
Pd    S
      1.91370000E+00         3.87139753E-01
      1.04685000E+00         6.28557515E-01
Pd    S
      5.41124000E-01         1.00000000E+00
Pd    S
      2.19604000E-01         1.00000000E+00
Pd    S
      1.11243000E-01         1.00000000E+00
Pd    S
      5.34930000E-02         1.00000000E+00
Pd    S
      2.57800000E-02         1.00000000E+00
Pd    S
      1.240000E-02           1.000000E+00
Pd    P
      1.35273000E+02         1.06214512E-03
      2.30761000E+01        -2.43893645E-02
      1.44134000E+01         3.26826621E-01
      9.00419000E+00        -6.52014340E-01
      5.41584000E+00        -7.95529561E-01
      2.35079000E+00         1.57606346E+00
Pd    P
      1.33440000E+00         5.93364233E-01
      7.33547000E-01         4.33112808E-01
Pd    P
      3.90166000E-01         1.00000000E+00
Pd    P
      1.88557000E-01         1.00000000E+00
Pd    P
      9.14820000E-02         1.00000000E+00
Pd    P
      4.43940000E-02         1.00000000E+00
Pd    P
      2.13240000E-02         1.00000000E+00
Pd    P
      1.020000E-02           1.000000E+00
Pd    D
      1.67087000E+02         1.95094810E-04
      5.00032000E+01         1.59570083E-03
      1.68214000E+01         1.39885890E-02
      8.37250000E+00        -7.57317286E-02
      3.25300000E+00         3.25511322E-01
      1.80999000E+00         7.38955079E-01
Pd    D
      9.77062000E-01         1.00000000E+00
Pd    D
      5.10875000E-01         1.00000000E+00
Pd    D
      2.57533000E-01         1.00000000E+00
Pd    D
      1.24094000E-01         1.00000000E+00
Pd    D
      5.55480000E-02         1.00000000E+00
Pd    D
      2.490000E-02           1.000000E+00
Pd    F
      6.05820000E+00         1.00000000E+00
Pd    F
      2.29290000E+00         1.00000000E+00
Pd    F
      8.67800000E-01         1.00000000E+00
Pd    F
      3.28400000E-01         1.00000000E+00
Pd    F
      1.244000E-01           1.000000E+00
Pd    G
      3.05360000E+00         1.00000000E+00
Pd    G
      1.28450000E+00         1.00000000E+00
Pd    G
      5.40300000E-01         1.00000000E+00
Pd    G
      2.229000E-01           1.000000E+00
Pd    H
      2.52020000E+00         1.00000000E+00
Pd    H
      9.49800000E-01         1.00000000E+00
Pd    H
      4.101000E-01           1.000000E+00
Pd    I
      2.00510000E+00         1.00000000E+00
Pd    I
      1.031100E+00           1.000000E+00
end


ecp "Pd_aug-seg-cc-pV5Z-PP"
Pd nelec 28
Pd ul
2       1.0000000              0.0000000
Pd S
2      12.79882500           240.26278900
2       5.80052800            34.72996100
Pd P
2      11.87469700            56.74692900
2      11.47433500           113.44441700
2       5.51599900             9.34563900
2       5.24804300            18.34544700
Pd D
2       8.50221200            28.59555400
2       7.98332400            43.45392100
2       3.10762800             1.85228600
2       2.47673400             1.40676500
Pd F
2       9.67957100           -10.98725500
2       9.69134900           -14.62619000
end
basis "Ag_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Ag    S
      2.55081000E+04         1.46040559E-05
      3.86630000E+03         1.07742017E-04
      8.65795000E+02         5.27643735E-04
      2.33779000E+02         1.60813139E-03
      3.72712000E+01         4.91342092E-02
      2.32321000E+01        -4.09732945E-01
      1.44818000E+01         1.34661032E+00
Ag    S
      7.33015000E+00         5.24123309E-01
      4.54736000E+00         4.86390312E-01
Ag    S
      2.00805000E+00         4.03876948E-01
      1.12662000E+00         6.10793400E-01
Ag    S
      5.87906000E-01         1.00000000E+00
Ag    S
      2.29165000E-01         1.00000000E+00
Ag    S
      1.19353000E-01         1.00000000E+00
Ag    S
      5.74270000E-02         1.00000000E+00
Ag    S
      2.74470000E-02         1.00000000E+00
Ag    S
      1.310000E-02           1.000000E+00
Ag    P
      2.60371000E+02         3.15843736E-04
      4.18770000E+01         1.01069996E-02
      2.60818000E+01        -6.73479550E-02
      1.62999000E+01         2.81512895E-01
      7.33212000E+00        -1.13799414E+00
      3.61153000E+00        -5.42930805E-02
Ag    P
      2.25774000E+00         4.66066618E-01
      1.19563000E+00         5.64190065E-01
Ag    P
      6.17307000E-01         1.00000000E+00
Ag    P
      2.88214000E-01         1.00000000E+00
Ag    P
      1.33871000E-01         1.00000000E+00
Ag    P
      6.06670000E-02         1.00000000E+00
Ag    P
      2.69870000E-02         1.00000000E+00
Ag    P
      1.200000E-02           1.000000E+00
Ag    D
      2.10151000E+02         1.71541597E-04
      6.32213000E+01         1.43171256E-03
      2.21947000E+01         9.82405528E-03
      9.16378000E+00        -6.93951736E-02
      3.69265000E+00         2.95160409E-01
      2.17247000E+00         7.62416626E-01
Ag    D
      1.21504000E+00         1.00000000E+00
Ag    D
      6.54531000E-01         1.00000000E+00
Ag    D
      3.39610000E-01         1.00000000E+00
Ag    D
      1.68438000E-01         1.00000000E+00
Ag    D
      7.78390000E-02         1.00000000E+00
Ag    D
      3.600000E-02           1.000000E+00
Ag    F
      6.86530000E+00         1.00000000E+00
Ag    F
      2.61300000E+00         1.00000000E+00
Ag    F
      9.94500000E-01         1.00000000E+00
Ag    F
      3.78500000E-01         1.00000000E+00
Ag    F
      1.448000E-01           1.000000E+00
Ag    G
      3.40820000E+00         1.00000000E+00
Ag    G
      1.45730000E+00         1.00000000E+00
Ag    G
      6.23200000E-01         1.00000000E+00
Ag    G
      2.596000E-01           1.000000E+00
Ag    H
      2.83320000E+00         1.00000000E+00
Ag    H
      1.08140000E+00         1.00000000E+00
Ag    H
      4.758000E-01           1.000000E+00
Ag    I
      2.26400000E+00         1.00000000E+00
Ag    I
      1.208200E+00           1.000000E+00
end


ecp "Ag_aug-seg-cc-pV5Z-PP"
Ag nelec 28
Ag ul
2       1.0000000              0.0000000
Ag S
2      12.5677140            255.0547710
2       6.9976620             36.9833930
Ag P
2      11.3164960             60.7157050
2      10.9580630            121.4438890
2       7.1114000             10.1718660
2       6.7733190             20.4865640
Ag D
2       8.9284370             29.5049380
2      11.1025670             44.0187360
2       5.5432120              5.3683330
2       3.9288350              7.4083750
Ag F
2      11.0129130            -12.6234030
2      11.0198980            -16.7643270
end
basis "Cd_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Cd    S
      2.74366000E+04         1.77141442E-05
      3.90841000E+03         1.45096364E-04
      8.73494000E+02         6.81893611E-04
      2.40966000E+02         2.01156496E-03
      4.01547000E+01         5.09349369E-02
      2.49336000E+01        -4.14050643E-01
      1.55229000E+01         1.34900526E+00
Cd    S
      7.57283000E+00         5.68174854E-01
      4.72689000E+00         4.41925314E-01
Cd    S
      2.06319000E+00         4.46974630E-01
      1.12982000E+00         5.69382372E-01
Cd    S
      5.87227000E-01         1.00000000E+00
Cd    S
      2.36326000E-01         1.00000000E+00
Cd    S
      1.19029000E-01         1.00000000E+00
Cd    S
      5.75930000E-02         1.00000000E+00
Cd    S
      2.77550000E-02         1.00000000E+00
Cd    S
      1.340000E-02           1.000000E+00
Cd    P
      3.23268000E+02         3.01424927E-04
      6.35891000E+01         3.10102311E-03
      2.82035000E+01        -3.84682146E-02
      1.75936000E+01         2.29799971E-01
      8.20248000E+00        -9.26260533E-01
      5.11079000E+00        -2.43281885E-01
Cd    P
      2.53593000E+00         4.37553430E-01
      1.35839000E+00         5.91252371E-01
Cd    P
      7.05523000E-01         1.00000000E+00
Cd    P
      3.38369000E-01         1.00000000E+00
Cd    P
      1.51380000E-01         1.00000000E+00
Cd    P
      6.63680000E-02         1.00000000E+00
Cd    P
      2.86620000E-02         1.00000000E+00
Cd    P
      1.240000E-02           1.000000E+00
Cd    D
      2.18483000E+02         1.90347527E-04
      6.60856000E+01         1.54913603E-03
      2.34767000E+01         1.04076171E-02
      1.07919000E+01        -5.25681302E-02
      3.98684000E+00         2.99926206E-01
      2.27580000E+00         7.49696914E-01
Cd    D
      1.25381000E+00         1.00000000E+00
Cd    D
      6.74759000E-01         1.00000000E+00
Cd    D
      3.54857000E-01         1.00000000E+00
Cd    D
      1.80970000E-01         1.00000000E+00
Cd    D
      8.70760000E-02         1.00000000E+00
Cd    D
      4.190000E-02           1.000000E+00
Cd    F
      7.74980000E+00         1.00000000E+00
Cd    F
      2.95690000E+00         1.00000000E+00
Cd    F
      1.12820000E+00         1.00000000E+00
Cd    F
      4.30500000E-01         1.00000000E+00
Cd    F
      1.669000E-01           1.000000E+00
Cd    G
      3.79710000E+00         1.00000000E+00
Cd    G
      1.63220000E+00         1.00000000E+00
Cd    G
      7.01600000E-01         1.00000000E+00
Cd    G
      2.957000E-01           1.000000E+00
Cd    H
      3.18220000E+00         1.00000000E+00
Cd    H
      1.21970000E+00         1.00000000E+00
Cd    H
      5.447000E-01           1.000000E+00
Cd    I
      2.54980000E+00         1.00000000E+00
Cd    I
      1.400300E+00           1.000000E+00
end


ecp "Cd_aug-seg-cc-pV5Z-PP"
Cd nelec 28
Cd ul
2       1.0000000              0.0000000
Cd S
2      13.3551760            270.0394480
2       7.3083780             38.8777660
Cd P
2      12.6597280             64.6074700
2      12.2896390            129.2194450
2       6.7861760             10.6225580
2       6.4007430             21.2650460
Cd D
2      11.1617220             31.6639650
2      11.2196150             47.4892160
2       4.5377330              5.1862000
2       4.3357270              7.5660630
Cd F
2      11.4789860            -12.6327850
2      11.4870270            -16.7601710
end
basis "Hf_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Hf    S
      3.54864000E+00         9.91874106E-01
      1.96697000E+00         8.66122959E-03
Hf    S
      1.27748000E+02         3.07741721E-03
      7.94716000E+01        -2.15883720E-02
      4.54455000E+01         1.59061824E-01
      2.83815000E+01        -9.16559360E-01
      1.77268000E+01         3.82474185E+00
      1.10709000E+01        -8.52826631E+00
      6.89459000E+00         5.62238317E+00
Hf    S
      1.18967000E+00         4.34144171E-01
      7.22518000E-01         5.77093440E-01
Hf    S
      4.16445000E-01         1.00000000E+00
Hf    S
      2.30805000E-01         1.00000000E+00
Hf    S
      1.03799000E-01         1.00000000E+00
Hf    S
      4.97170000E-02         1.00000000E+00
Hf    S
      2.37700000E-02         1.00000000E+00
Hf    S
      1.140000E-02           1.000000E+00
Hf    P
      4.14467000E+01         2.50667139E-03
      2.58855000E+01        -2.97254946E-02
      1.61691000E+01         2.08362937E-01
      1.01016000E+01        -7.52314752E-01
      6.31071000E+00         8.33583677E-01
      3.83653000E+00         6.87652524E-01
Hf    P
      1.39932000E+00         4.02680089E-01
      7.67608000E-01         6.23357321E-01
Hf    P
      4.11558000E-01         1.00000000E+00
Hf    P
      2.11118000E-01         1.00000000E+00
Hf    P
      9.81670000E-02         1.00000000E+00
Hf    P
      4.53820000E-02         1.00000000E+00
Hf    P
      2.06860000E-02         1.00000000E+00
Hf    P
      9.400000E-03           1.000000E+00
Hf    D
      3.55394000E+01         1.73827477E-04
      1.52305000E+01        -2.62762465E-03
      7.77467000E+00         5.00906108E-02
      4.37365000E+00        -2.27661442E-01
      1.41617000E+00         3.75507775E-01
      8.37910000E-01         7.27407352E-01
Hf    D
      4.65675000E-01         1.00000000E+00
Hf    D
      2.39770000E-01         1.00000000E+00
Hf    D
      1.17720000E-01         1.00000000E+00
Hf    D
      5.57830000E-02         1.00000000E+00
Hf    D
      2.51140000E-02         1.00000000E+00
Hf    D
      1.130000E-02           1.000000E+00
Hf    F
      1.08070000E+00         1.00000000E+00
Hf    F
      4.60000000E-01         1.00000000E+00
Hf    F
      1.95800000E-01         1.00000000E+00
Hf    F
      8.34000000E-02         1.00000000E+00
Hf    F
      2.970000E-02           1.000000E+00
Hf    G
      1.09980000E+00         1.00000000E+00
Hf    G
      4.17500000E-01         1.00000000E+00
Hf    G
      1.58500000E-01         1.00000000E+00
Hf    G
      5.400000E-02           1.000000E+00
Hf    H
      7.69400000E-01         1.00000000E+00
Hf    H
      2.78100000E-01         1.00000000E+00
Hf    H
      9.200000E-02           1.000000E+00
Hf    I
      5.04200000E-01         1.00000000E+00
Hf    I
      1.624000E-01           1.000000E+00
end


ecp "Hf_aug-seg-cc-pV5Z-PP"
Hf nelec 60
Hf ul
2       1.00000000             0.00000000
Hf S
2      10.24885600           478.23740400
4      10.72912700             0.38802400
2       1.96485600            -1.07123200
Hf P
2       8.68346200           101.04681800
2       7.91692000           212.19776100
4       9.37924300             0.13264600
4       8.24420900             0.45310800
2       1.59668600            -0.40791400
2       1.71028100            -0.56181700
Hf D
2       5.18955700            43.11546700
2       5.25322900            65.93473200
4       5.93787100             0.02591200
4       5.71290600             0.03374100
2       1.01485600            -0.28057900
2       0.47371200            -0.08484900
Hf F
2       1.91260800             4.81180100
2       1.88074000             6.41857400
Hf G
2       2.72418000            -4.63658500
2       2.70895300            -5.76728800
end
basis "Ta_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Ta    S
      3.72195000E+00         9.76098654E-01
      1.96762000E+00         2.57114201E-02
Ta    S
      1.27886000E+02        -3.13617387E-03
      7.96219000E+01         2.33470721E-02
      4.73560000E+01        -1.43982979E-01
      2.89849000E+01         8.43136177E-01
      1.81009000E+01        -3.63916445E+00
      1.13049000E+01         8.35315976E+00
      7.06103000E+00        -5.59156196E+00
Ta    S
      1.22073000E+00         4.76178616E-01
      7.09464000E-01         5.37315333E-01
Ta    S
      4.07667000E-01         1.00000000E+00
Ta    S
      2.30853000E-01         1.00000000E+00
Ta    S
      1.12447000E-01         1.00000000E+00
Ta    S
      5.40990000E-02         1.00000000E+00
Ta    S
      2.55890000E-02         1.00000000E+00
Ta    S
      1.210000E-02           1.000000E+00
Ta    P
      4.30864000E+01         1.77040269E-03
      2.62162000E+01        -2.48605544E-02
      1.63747000E+01         1.90040308E-01
      1.02287000E+01        -7.32946713E-01
      6.38856000E+00         8.79484008E-01
      3.88200000E+00         6.39213945E-01
Ta    P
      1.54022000E+00         3.82239123E-01
      8.63544000E-01         6.41523442E-01
Ta    P
      4.68476000E-01         1.00000000E+00
Ta    P
      2.43351000E-01         1.00000000E+00
Ta    P
      1.12667000E-01         1.00000000E+00
Ta    P
      5.14670000E-02         1.00000000E+00
Ta    P
      2.30550000E-02         1.00000000E+00
Ta    P
      1.030000E-02           1.000000E+00
Ta    D
      3.55553000E+01         2.05498358E-04
      1.52541000E+01        -3.18364379E-03
      8.05070000E+00         4.86683341E-02
      4.48582000E+00        -2.17240218E-01
      1.46990000E+00         3.89153821E-01
      8.34940000E-01         7.15697034E-01
Ta    D
      4.63994000E-01         1.00000000E+00
Ta    D
      2.48918000E-01         1.00000000E+00
Ta    D
      1.28916000E-01         1.00000000E+00
Ta    D
      6.44250000E-02         1.00000000E+00
Ta    D
      3.02690000E-02         1.00000000E+00
Ta    D
      1.420000E-02           1.000000E+00
Ta    F
      1.20450000E+00         1.00000000E+00
Ta    F
      5.36100000E-01         1.00000000E+00
Ta    F
      2.38600000E-01         1.00000000E+00
Ta    F
      1.06200000E-01         1.00000000E+00
Ta    F
      3.860000E-02           1.000000E+00
Ta    G
      1.32340000E+00         1.00000000E+00
Ta    G
      5.16300000E-01         1.00000000E+00
Ta    G
      2.01500000E-01         1.00000000E+00
Ta    G
      7.250000E-02           1.000000E+00
Ta    H
      9.77900000E-01         1.00000000E+00
Ta    H
      3.50300000E-01         1.00000000E+00
Ta    H
      1.249000E-01           1.000000E+00
Ta    I
      6.49600000E-01         1.00000000E+00
Ta    I
      2.331000E-01           1.000000E+00
end


ecp "Ta_aug-seg-cc-pV5Z-PP"
Ta nelec 60
Ta ul
2       1.00000000             0.00000000
Ta S
2      10.31806900           454.60064900
4      10.54026700             2.83797500
2       2.57472600            -0.81473600
Ta P
2       8.74334200            96.91078300
2       7.91622300           195.85043200
4       9.27573600             4.81252400
4       8.10167500             6.33851200
2       2.07712700            -0.45917300
2       2.75037200            -0.64458600
Ta D
2       5.44731400            45.96997600
2       5.21254500            69.63897200
4       5.88435800             0.80293300
4       5.64957900             0.42959500
2       1.38818000            -0.30722700
2       1.29439800            -0.46156000
Ta F
2       2.16127500             5.75777300
2       2.12593900             7.67816700
Ta G
2       3.14592000            -5.68406600
2       3.12794200            -7.06231300
end
basis "W_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
W    S
      3.87670000E+00         1.00204499E+00
      1.94927000E+00        -2.23116318E-03
W    S
      1.28021000E+02         2.70501345E-03
      7.97690000E+01        -2.13318872E-02
      4.85622000E+01         1.34624148E-01
      3.01989000E+01        -7.84561549E-01
      1.88517000E+01         3.47417557E+00
      1.17614000E+01        -8.16913177E+00
      7.32982000E+00         5.48141578E+00
W    S
      1.21444000E+00         5.51495202E-01
      7.06390000E-01         4.61901049E-01
W    S
      4.09433000E-01         1.00000000E+00
W    S
      2.30424000E-01         1.00000000E+00
W    S
      1.12074000E-01         1.00000000E+00
W    S
      5.45930000E-02         1.00000000E+00
W    S
      2.62100000E-02         1.00000000E+00
W    S
      1.260000E-02           1.000000E+00
W    P
      4.48241000E+01         2.21333837E-03
      2.79957000E+01        -2.71536911E-02
      1.74892000E+01         1.97226926E-01
      1.09261000E+01        -7.37949813E-01
      6.82519000E+00         8.50318997E-01
      4.18153000E+00         6.66721990E-01
W    P
      1.56353000E+00         4.08429523E-01
      8.68966000E-01         6.16656627E-01
W    P
      4.66882000E-01         1.00000000E+00
W    P
      2.37620000E-01         1.00000000E+00
W    P
      1.12450000E-01         1.00000000E+00
W    P
      5.20670000E-02         1.00000000E+00
W    P
      2.36130000E-02         1.00000000E+00
W    P
      1.070000E-02           1.000000E+00
W    D
      3.56782000E+01         2.12312415E-04
      1.54233000E+01        -6.14133319E-03
      9.24385000E+00         5.25093162E-02
      5.03715000E+00        -2.03597121E-01
      1.54681000E+00         3.90822596E-01
      8.42200000E-01         7.07742125E-01
W    D
      4.58388000E-01         1.00000000E+00
W    D
      2.47542000E-01         1.00000000E+00
W    D
      1.30544000E-01         1.00000000E+00
W    D
      6.62290000E-02         1.00000000E+00
W    D
      3.13960000E-02         1.00000000E+00
W    D
      1.490000E-02           1.000000E+00
W    F
      1.34950000E+00         1.00000000E+00
W    F
      6.18700000E-01         1.00000000E+00
W    F
      2.83600000E-01         1.00000000E+00
W    F
      1.30000000E-01         1.00000000E+00
W    F
      4.820000E-02           1.000000E+00
W    G
      1.54060000E+00         1.00000000E+00
W    G
      6.16200000E-01         1.00000000E+00
W    G
      2.46500000E-01         1.00000000E+00
W    G
      9.230000E-02           1.000000E+00
W    H
      1.17140000E+00         1.00000000E+00
W    H
      4.22200000E-01         1.00000000E+00
W    H
      1.583000E-01           1.000000E+00
W    I
      8.04800000E-01         1.00000000E+00
W    I
      3.141000E-01           1.000000E+00
end


ecp "W_aug-seg-cc-pV5Z-PP"
W nelec 60
W ul
2       1.00000000             0.00000000
W S
2      11.06379500           419.22759900
2       8.21764100            41.19130700
W P
2       9.33818800           107.34811000
2       8.43044800           214.69956800
4       9.49002000             0.02544200
4       9.48994700             0.05189500
2       1.88299700            -0.11718400
2       1.90697200             0.29668900
W D
2       6.20543300            58.88127900
2       6.12215700            98.68355600
4       6.27455600             0.01953700
4       6.22637500             0.02195600
2       1.96387500            -0.08857700
2       1.88828700            -0.20972600
W F
2       2.30795300             6.23247200
2       2.27060900             8.31134500
W G
2       3.58349100            -6.80294400
2       3.56251500            -8.44323200
end
basis "Re_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Re    S
      2.02712000E+02         2.05885558E-04
      8.31287000E+01        -9.45529677E-03
      5.16714000E+01         8.30644066E-02
      3.22470000E+01        -5.61665367E-01
      2.01306000E+01         2.69747349E+00
      1.25747000E+01        -6.27891174E+00
      7.38452000E+00         3.58861749E+00
Re    S
      4.17286000E+00         9.86940520E-01
      2.60711000E+00         1.35998744E-02
Re    S
      1.28764000E+00         5.42160554E-01
      7.17662000E-01         4.73433119E-01
Re    S
      4.00567000E-01         1.00000000E+00
Re    S
      2.32329000E-01         1.00000000E+00
Re    S
      1.12756000E-01         1.00000000E+00
Re    S
      5.51780000E-02         1.00000000E+00
Re    S
      2.66950000E-02         1.00000000E+00
Re    S
      1.290000E-02           1.000000E+00
Re    P
      4.79533000E+01         1.11283932E-03
      2.99457000E+01        -1.63256753E-02
      1.87024000E+01         1.34625333E-01
      1.16818000E+01        -5.44077625E-01
      7.29636000E+00         5.64931267E-01
      4.53173000E+00         8.16344248E-01
Re    P
      1.60002000E+00         4.31408843E-01
      8.85921000E-01         5.94429223E-01
Re    P
      4.73037000E-01         1.00000000E+00
Re    P
      2.35848000E-01         1.00000000E+00
Re    P
      1.11181000E-01         1.00000000E+00
Re    P
      5.15630000E-02         1.00000000E+00
Re    P
      2.35420000E-02         1.00000000E+00
Re    P
      1.070000E-02           1.000000E+00
Re    D
      3.57309000E+01         3.25975924E-04
      1.60515000E+01        -4.94561452E-03
      9.96591000E+00         4.02036973E-02
      5.02817000E+00        -2.21067652E-01
      1.74276000E+00         4.00640874E-01
      1.04520000E+00         7.10564953E-01
Re    D
      6.07784000E-01         1.00000000E+00
Re    D
      3.29400000E-01         1.00000000E+00
Re    D
      1.67987000E-01         1.00000000E+00
Re    D
      8.16530000E-02         1.00000000E+00
Re    D
      3.72670000E-02         1.00000000E+00
Re    D
      1.700000E-02           1.000000E+00
Re    F
      1.47570000E+00         1.00000000E+00
Re    F
      6.89500000E-01         1.00000000E+00
Re    F
      3.22200000E-01         1.00000000E+00
Re    F
      1.50500000E-01         1.00000000E+00
Re    F
      5.600000E-02           1.000000E+00
Re    G
      1.73010000E+00         1.00000000E+00
Re    G
      7.09500000E-01         1.00000000E+00
Re    G
      2.90900000E-01         1.00000000E+00
Re    G
      1.118000E-01           1.000000E+00
Re    H
      1.34340000E+00         1.00000000E+00
Re    H
      5.02300000E-01         1.00000000E+00
Re    H
      1.983000E-01           1.000000E+00
Re    I
      1.06940000E+00         1.00000000E+00
Re    I
      4.822000E-01           1.000000E+00
end


ecp "Re_aug-seg-cc-pV5Z-PP"
Re nelec 60
Re ul
2       1.00000000             0.00000000
Re S
2      12.16381400           421.97030000
2       7.10759500            50.13443900
Re P
2       9.68459700            88.48191000
2       9.47621400           176.78722000
2       7.66806600            10.43433800
2       5.05515600            20.45874300
Re D
2       6.50988800            43.16243100
2       6.09121600            64.76775900
2       4.16400600             5.34030100
2       4.40737900             8.24333200
Re F
2       2.56265800             7.24454300
2       2.52154900             9.65926600
Re G
2       4.03459900            -7.97494000
2       4.00962800            -9.88273600
end
basis "Os_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Os    S
      2.27216000E+02         7.82986826E-05
      8.89180000E+01        -6.66526054E-03
      5.53980000E+01         5.90467268E-02
      3.45047000E+01        -4.05862503E-01
      2.15498000E+01         1.94705349E+00
      1.33429000E+01        -4.50527713E+00
      7.29398000E+00         2.21707706E+00
Os    S
      4.47079000E+00         8.87085534E-01
      2.50344000E+00         1.19273787E-01
Os    S
      1.50413000E+00         4.90376350E-01
      8.80849000E-01         5.22783894E-01
Os    S
      5.11278000E-01         1.00000000E+00
Os    S
      2.78537000E-01         1.00000000E+00
Os    S
      1.31716000E-01         1.00000000E+00
Os    S
      6.26290000E-02         1.00000000E+00
Os    S
      2.95780000E-02         1.00000000E+00
Os    S
      1.400000E-02           1.000000E+00
Os    P
      5.05874000E+01         7.08616431E-04
      3.15906000E+01        -1.26794569E-02
      1.97305000E+01         1.13131807E-01
      1.23248000E+01        -4.74351024E-01
      7.69824000E+00         4.65843645E-01
      4.76322000E+00         8.66219891E-01
Os    P
      1.68022000E+00         4.38824082E-01
      9.33186000E-01         5.86874818E-01
Os    P
      4.98904000E-01         1.00000000E+00
Os    P
      2.48449000E-01         1.00000000E+00
Os    P
      1.15623000E-01         1.00000000E+00
Os    P
      5.29260000E-02         1.00000000E+00
Os    P
      2.38640000E-02         1.00000000E+00
Os    P
      1.080000E-02           1.000000E+00
Os    D
      3.47251000E+01         4.96078094E-04
      1.84921000E+01        -4.09194360E-03
      1.15470000E+01         2.54513286E-02
      5.30238000E+00        -1.75488326E-01
      1.80766000E+00         3.98745890E-01
      1.05082000E+00         6.99195448E-01
Os    D
      5.99215000E-01         1.00000000E+00
Os    D
      3.26935000E-01         1.00000000E+00
Os    D
      1.69993000E-01         1.00000000E+00
Os    D
      8.45740000E-02         1.00000000E+00
Os    D
      3.94930000E-02         1.00000000E+00
Os    D
      1.840000E-02           1.000000E+00
Os    F
      1.64020000E+00         1.00000000E+00
Os    F
      7.83800000E-01         1.00000000E+00
Os    F
      3.74600000E-01         1.00000000E+00
Os    F
      1.79000000E-01         1.00000000E+00
Os    F
      6.790000E-02           1.000000E+00
Os    G
      1.93700000E+00         1.00000000E+00
Os    G
      8.08500000E-01         1.00000000E+00
Os    G
      3.37500000E-01         1.00000000E+00
Os    G
      1.326000E-01           1.000000E+00
Os    H
      1.50670000E+00         1.00000000E+00
Os    H
      5.77700000E-01         1.00000000E+00
Os    H
      2.360000E-01           1.000000E+00
Os    I
      1.22060000E+00         1.00000000E+00
Os    I
      5.783000E-01           1.000000E+00
end


ecp "Os_aug-seg-cc-pV5Z-PP"
Os nelec 60
Os ul
2       1.00000000             0.00000000
Os S
2      13.00200100           424.39037600
2       6.96276300            57.12250300
Os P
2      10.49894100            88.27900300
2       9.99252300           176.48606400
2       6.58824800            11.71501200
2       5.03716700            22.91500600
Os D
2       7.08344100            44.77770800
2       6.72117900            67.15364800
2       3.79462600             5.55038700
2       3.74812500             8.22010400
Os F
2       2.82627600             8.32833200
2       2.78119800            11.10310200
Os G
2       4.49698100            -9.18134300
2       4.46773800           -11.36160400
end
basis "Ir_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Ir    S
      3.61168000E+02         4.59554576E-05
      9.58674000E+01         4.88076391E-03
      5.98527000E+01        -4.67331792E-02
      3.68252000E+01         3.55880355E-01
      2.30133000E+01        -1.72846679E+00
      1.36810000E+01         4.50095900E+00
      7.24561000E+00        -2.55710589E+00
Ir    S
      4.52816000E+00         9.61810758E-01
      2.49878000E+00         4.06588745E-02
Ir    S
      1.55309000E+00         4.96045221E-01
      9.42302000E-01         5.15465886E-01
Ir    S
      5.46088000E-01         1.00000000E+00
Ir    S
      2.70793000E-01         1.00000000E+00
Ir    S
      1.34753000E-01         1.00000000E+00
Ir    S
      6.45530000E-02         1.00000000E+00
Ir    S
      3.05960000E-02         1.00000000E+00
Ir    S
      1.450000E-02           1.000000E+00
Ir    P
      5.31489000E+01         4.04566326E-04
      3.31807000E+01        -1.01416529E-02
      2.07203000E+01         9.83056893E-02
      1.29411000E+01        -4.29044552E-01
      8.08251000E+00         4.14055959E-01
      4.97027000E+00         8.87374993E-01
Ir    P
      1.77710000E+00         4.42378114E-01
      9.95010000E-01         5.82694155E-01
Ir    P
      5.36546000E-01         1.00000000E+00
Ir    P
      2.71067000E-01         1.00000000E+00
Ir    P
      1.27252000E-01         1.00000000E+00
Ir    P
      5.86070000E-02         1.00000000E+00
Ir    P
      2.64540000E-02         1.00000000E+00
Ir    P
      1.190000E-02           1.000000E+00
Ir    D
      4.38130000E+01         2.96798467E-04
      1.98991000E+01        -2.81085607E-03
      1.24262000E+01         2.03793301E-02
      5.64027000E+00        -1.53766547E-01
      1.87945000E+00         4.03745680E-01
      1.06925000E+00         6.87457580E-01
Ir    D
      5.99554000E-01         1.00000000E+00
Ir    D
      3.25908000E-01         1.00000000E+00
Ir    D
      1.70702000E-01         1.00000000E+00
Ir    D
      8.61840000E-02         1.00000000E+00
Ir    D
      4.10370000E-02         1.00000000E+00
Ir    D
      1.950000E-02           1.000000E+00
Ir    F
      1.80120000E+00         1.00000000E+00
Ir    F
      8.78100000E-01         1.00000000E+00
Ir    F
      4.28100000E-01         1.00000000E+00
Ir    F
      2.08700000E-01         1.00000000E+00
Ir    F
      8.040000E-02           1.000000E+00
Ir    G
      2.15030000E+00         1.00000000E+00
Ir    G
      9.13900000E-01         1.00000000E+00
Ir    G
      3.88400000E-01         1.00000000E+00
Ir    G
      1.549000E-01           1.000000E+00
Ir    H
      1.67620000E+00         1.00000000E+00
Ir    H
      6.56200000E-01         1.00000000E+00
Ir    H
      2.754000E-01           1.000000E+00
Ir    I
      1.37960000E+00         1.00000000E+00
Ir    I
      6.841000E-01           1.000000E+00
end


ecp "Ir_aug-seg-cc-pV5Z-PP"
Ir nelec 60
Ir ul
2       1.00000000             0.00000000
Ir S
2      13.83147400           426.95814900
2       7.04791400            65.33881300
Ir P
2      11.10643300            88.07544200
2      10.45655200           176.12477000
2       6.37961400            12.68226000
2       5.06472600            24.63594900
Ir D
2       7.54875400            46.43325800
2       7.26530800            69.63807400
2       3.80096900             6.15024800
2       3.71828000             9.46356000
Ir F
2       3.09870600             9.48361000
2       3.04946100            12.64274200
Ir G
2       4.96979000           -10.41069700
2       4.93561400           -12.86319600
end
basis "Pt_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Pt    S
      4.13600000E+02         5.47402036E-05
      1.03535000E+02         3.65509447E-03
      6.41243000E+01        -3.40275051E-02
      3.98615000E+01         2.32426852E-01
      2.47987000E+01        -1.05024900E+00
      1.39302000E+01         3.14999861E+00
      7.80138000E+00        -1.47213292E+00
Pt    S
      4.86991000E+00         9.01802844E-01
      2.74281000E+00         1.03713731E-01
Pt    S
      1.71192000E+00         4.71296236E-01
      1.01580000E+00         5.41188809E-01
Pt    S
      5.72573000E-01         1.00000000E+00
Pt    S
      2.87864000E-01         1.00000000E+00
Pt    S
      1.41592000E-01         1.00000000E+00
Pt    S
      6.75100000E-02         1.00000000E+00
Pt    S
      3.18870000E-02         1.00000000E+00
Pt    S
      1.510000E-02           1.000000E+00
Pt    P
      3.93378000E+02         1.93352940E-05
      3.44003000E+01         7.55236582E-03
      2.14843000E+01        -8.72795169E-02
      1.34194000E+01         4.03465712E-01
      8.38049000E+00        -3.87548898E-01
      5.18994000E+00        -8.98085734E-01
Pt    P
      1.85863000E+00         4.50870503E-01
      1.03153000E+00         5.75058609E-01
Pt    P
      5.49205000E-01         1.00000000E+00
Pt    P
      2.70057000E-01         1.00000000E+00
Pt    P
      1.24170000E-01         1.00000000E+00
Pt    P
      5.62650000E-02         1.00000000E+00
Pt    P
      2.51200000E-02         1.00000000E+00
Pt    P
      1.120000E-02           1.000000E+00
Pt    D
      5.81968000E+01         2.03491243E-04
      2.02554000E+01        -1.57824022E-03
      1.26079000E+01         1.80208059E-02
      5.87904000E+00        -1.45072693E-01
      1.98186000E+00         4.08324109E-01
      1.12322000E+00         6.81404625E-01
Pt    D
      6.29609000E-01         1.00000000E+00
Pt    D
      3.45523000E-01         1.00000000E+00
Pt    D
      1.83711000E-01         1.00000000E+00
Pt    D
      9.39850000E-02         1.00000000E+00
Pt    D
      4.51010000E-02         1.00000000E+00
Pt    D
      2.160000E-02           1.000000E+00
Pt    F
      1.96660000E+00         1.00000000E+00
Pt    F
      9.73900000E-01         1.00000000E+00
Pt    F
      4.82300000E-01         1.00000000E+00
Pt    F
      2.38800000E-01         1.00000000E+00
Pt    F
      9.320000E-02           1.000000E+00
Pt    G
      2.36750000E+00         1.00000000E+00
Pt    G
      1.02290000E+00         1.00000000E+00
Pt    G
      4.41900000E-01         1.00000000E+00
Pt    G
      1.789000E-01           1.000000E+00
Pt    H
      1.84360000E+00         1.00000000E+00
Pt    H
      7.33200000E-01         1.00000000E+00
Pt    H
      3.139000E-01           1.000000E+00
Pt    I
      1.53700000E+00         1.00000000E+00
Pt    I
      7.937000E-01           1.000000E+00
end


ecp "Pt_aug-seg-cc-pV5Z-PP"
Pt nelec 60
Pt ul
2       1.00000000             0.00000000
Pt S
2      14.60450000           429.64608700
2       7.21828700            73.15688400
Pt P
2      11.57716200            88.02291700
2      10.88384300           175.99819600
2       6.42440300            13.68227400
2       5.22419800            27.41465100
Pt D
2       7.69961000            43.55785200
2       7.55080800            65.36910800
2       3.96116400             7.01859600
2       3.87277700            11.39173300
Pt F
2       3.37986900            10.71022000
2       3.32625500            14.27812500
Pt G
2       5.45202000           -11.65174900
2       5.41258500           -14.37552500
end
basis "Au_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (16s,13p,11d,4f,3g,2h,1i) -> [8s,7p,6d,4f,3g,2h,1i]
Au    S
      2.32404000E+03         1.06509192E-05
      9.17020000E+02         2.22088832E-05
      9.93091000E+01         2.45688260E-03
      6.17576000E+01        -1.96400751E-02
      3.83722000E+01         1.29186587E-01
      2.39629000E+01        -6.23342933E-01
      1.48518000E+01         1.49244383E+00
Au    S
      7.97480000E+00         2.95843990E-01
      4.79790000E+00         7.13986171E-01
Au    S
      1.76245000E+00         4.69541156E-01
      1.09273000E+00         5.40958897E-01
Au    S
      6.30558000E-01         1.00000000E+00
Au    S
      3.22050000E-01         1.00000000E+00
Au    S
      1.50028000E-01         1.00000000E+00
Au    S
      7.07590000E-02         1.00000000E+00
Au    S
      3.33870000E-02         1.00000000E+00
Au    P
      3.28781000E+02         3.73525371E-05
      3.44634000E+01         8.17273513E-03
      2.15245000E+01        -9.23167955E-02
      1.34462000E+01         4.44461575E-01
      8.39937000E+00        -5.16626676E-01
      5.21059000E+00        -8.07259297E-01
Au    P
      2.03970000E+00         4.24278527E-01
      1.16903000E+00         5.98615080E-01
Au    P
      6.36220000E-01         1.00000000E+00
Au    P
      3.22119000E-01         1.00000000E+00
Au    P
      1.44372000E-01         1.00000000E+00
Au    P
      6.37590000E-02         1.00000000E+00
Au    P
      2.77220000E-02         1.00000000E+00
Au    D
      6.20309000E+01         2.32244446E-04
      2.10988000E+01        -2.14961138E-03
      1.31200000E+01         2.46719216E-02
      6.31257000E+00        -1.79046965E-01
      2.14145000E+00         4.47105665E-01
      1.29937000E+00         6.52015479E-01
Au    D
      8.10358000E-01         1.00000000E+00
Au    D
      4.72707000E-01         1.00000000E+00
Au    D
      2.55648000E-01         1.00000000E+00
Au    D
      1.30895000E-01         1.00000000E+00
Au    D
      6.27790000E-02         1.00000000E+00
Au    F
      2.30780000E+00         1.00000000E+00
Au    F
      1.13380000E+00         1.00000000E+00
Au    F
      5.57100000E-01         1.00000000E+00
Au    F
      2.73700000E-01         1.00000000E+00
Au    G
      2.55700000E+00         1.00000000E+00
Au    G
      1.13020000E+00         1.00000000E+00
Au    G
      4.99600000E-01         1.00000000E+00
Au    H
      2.01480000E+00         1.00000000E+00
Au    H
      8.10700000E-01         1.00000000E+00
Au    I
      1.68220000E+00         1.00000000E+00
end


ecp "Au_aug-seg-cc-pV5Z-PP"
Au nelec 60
Au ul
2       1.0000000              0.0000000
Au S
2      13.5232180            426.6418670
2       6.2643840             36.8006680
Au P
2      11.4138670             87.0020910
2      10.3292150            174.0043700
2       5.7074240              8.8706100
2       4.8281650             17.9024380
Au D
2       7.4309630             49.8836550
2       8.3219900             74.6845490
2       4.6096420              6.4862270
2       3.5115070              9.5468210
Au F
2       3.0846390              8.7916400
2       3.0247430             11.6584560
Au G
2       3.9784420             -5.2343370
2       4.0114910             -6.7381420
end
basis "Hg_aug-seg-cc-pV5Z-PP" SPHERICAL 
#basis SET: (17s,14p,12d,5f,4g,3h,2i) -> [9s,8p,7d,5f,4g,3h,2i]
Hg    S
      2.42562000E+04         6.81548957E-06
      3.77348000E+03         4.78511058E-05
      8.99987000E+02         2.12513482E-04
      2.52094000E+02         6.48333762E-04
      3.43579000E+01         4.01890897E-02
      2.13757000E+01        -3.75336647E-01
      1.33011000E+01         1.32192165E+00
Hg    S
      8.24311000E+00         3.54751305E-01
      4.90651000E+00         6.56524675E-01
Hg    S
      1.96323000E+00         4.11485468E-01
      1.20396000E+00         5.99162928E-01
Hg    S
      6.70791000E-01         1.00000000E+00
Hg    S
      3.30466000E-01         1.00000000E+00
Hg    S
      1.56826000E-01         1.00000000E+00
Hg    S
      7.36300000E-02         1.00000000E+00
Hg    S
      3.44940000E-02         1.00000000E+00
Hg    S
      1.620000E-02           1.000000E+00
Hg    P
      2.88309000E+02         7.50575895E-05
      3.69924000E+01         6.46210104E-03
      2.27990000E+01        -6.20261623E-02
      1.30084000E+01         4.32589056E-01
      8.12597000E+00        -6.72909161E-01
      5.07780000E+00        -6.70703897E-01
Hg    P
      2.17217000E+00         4.23879737E-01
      1.20373000E+00         6.01754494E-01
Hg    P
      6.32700000E-01         1.00000000E+00
Hg    P
      3.04678000E-01         1.00000000E+00
Hg    P
      1.37895000E-01         1.00000000E+00
Hg    P
      6.13020000E-02         1.00000000E+00
Hg    P
      2.69050000E-02         1.00000000E+00
Hg    P
      1.180000E-02           1.000000E+00
Hg    D
      1.54491000E+02         1.06172807E-04
      3.79614000E+01         2.05857276E-03
      2.33802000E+01        -8.84183543E-03
      1.43727000E+01         5.48559503E-02
      6.65415000E+00        -3.93641580E-01
      2.20203000E+00         1.18403914E+00
Hg    D
      1.22207000E+00         1.00000000E+00
Hg    D
      6.60098000E-01         1.00000000E+00
Hg    D
      3.46021000E-01         1.00000000E+00
Hg    D
      1.74785000E-01         1.00000000E+00
Hg    D
      8.31130000E-02         1.00000000E+00
Hg    D
      3.950000E-02           1.000000E+00
Hg    F
      2.58500000E+00         1.00000000E+00
Hg    F
      1.27450000E+00         1.00000000E+00
Hg    F
      6.28400000E-01         1.00000000E+00
Hg    F
      3.09800000E-01         1.00000000E+00
Hg    F
      1.258000E-01           1.000000E+00
Hg    G
      2.84580000E+00         1.00000000E+00
Hg    G
      1.26680000E+00         1.00000000E+00
Hg    G
      5.63900000E-01         1.00000000E+00
Hg    G
      2.372000E-01           1.000000E+00
Hg    H
      2.18860000E+00         1.00000000E+00
Hg    H
      8.88400000E-01         1.00000000E+00
Hg    H
      3.915000E-01           1.000000E+00
Hg    I
      1.82610000E+00         1.00000000E+00
Hg    I
      9.888000E-01           1.000000E+00
end


ecp "Hg_aug-seg-cc-pV5Z-PP"
Hg nelec 60
Hg ul
2       1.0000000              0.0000000
Hg S
2      12.4130710            275.7747970
2       6.8979130             49.2678980
Hg P
2      11.3103200             80.5069840
2      10.2107730            161.0348240
2       5.9398040              9.0834160
2       5.0197550             18.3677730
Hg D
2       8.4078950             51.1372560
2       8.2140860             76.7074590
2       4.0126120              6.5618210
2       3.7953980              9.8180700
Hg F
2       3.2731060              9.4290010
2       3.2083210             12.4948560
Hg G
2       4.4852960             -6.3384140
2       4.5132000             -8.0998630
end
