# BSE Version v0.8.4+29.gb6d6a1b
# Data downloaded at 2019-06-24T14:04
# aug-cc-pvdz-pp version number 0
# Description: aug-cc-pVDZ-PP
# 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
# ********************************************************************************
# Cu,Zn,Ag,Cd,Au,Hg
#     ## cc-pVDZ-PP
#     Peterson, Kirk A, Puzzarini, Cristina
#     Systematically convergent basis sets for transition metals. II.
#             Pseudopotential-based correlation consistent basis sets for
#             the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
#     Theor. Chem. Acc., 114, 283-296 (2005)
#     10.1007/s00214-005-0681-9
# 
#     ## aug-cc-pVDZ-PP Diffuse
#     Peterson, Kirk A, Puzzarini, Cristina
#     Systematically convergent basis sets for transition metals. II.
#             Pseudopotential-based correlation consistent basis sets for
#             the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
#     Theor. Chem. Acc., 114, 283-296 (2005)
#     10.1007/s00214-005-0681-9
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     Figgen, Detlev, Rauhut, Guntram, Dolg, Michael, Stoll, Hermann
#     Energy-consistent pseudopotentials for group 11 and 12 atoms:
#             adjustment to multi-configuration Dirac-Hartree-Fock data
#     J. Chem. Phys., 311, 227-244 (2005)
#     10.1016/j.chemphys.2004.10.005
# 
# Ga-As,In-Sb,Pb,Bi
#     ## cc-pVDZ-PP
#     Peterson, Kirk A.
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. I. Correlation consistent basis sets for the
#             post-d group 13-15 elements
#     J. Chem. Phys., 119, 11099-11112 (2003)
#     10.1063/1.1622923
# 
#     ## aug-cc-pVDZ-PP Diffuse
#     Peterson, Kirk A.
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. I. Correlation consistent basis sets for the
#             post-d group 13-15 elements
#     J. Chem. Phys., 119, 11099-11112 (2003)
#     10.1063/1.1622923
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     Metz, Bernhard, Stoll, Hermann, Dolg, Michael
#     Small-core multiconfiguration-Dirac-Hartree-Fock-adjusted
#             pseudopotentials for post-d main group elements: Application
#             to PbH and PbO
#     J. Chem. Phys., 113, 2563-2569 (2000)
#     10.1063/1.1305880
# 
# Se-Kr,Te,Xe,Po-Rn
#     ## cc-pVDZ-PP
#     Peterson, Kirk A., Figgen, Detlev, Goll, Erich, Stoll, Hermann, Dolg,
#             Michael
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. II. Small-core pseudopotentials and
#             correlation consistent basis sets for the post-d group 16-18
#             elements
#     J. Chem. Phys., 119, 11113-11123 (2003)
#     10.1063/1.1622924
# 
#     ## aug-cc-pVDZ-PP Diffuse
#     Peterson, Kirk A., Figgen, Detlev, Goll, Erich, Stoll, Hermann, Dolg,
#             Michael
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. II. Small-core pseudopotentials and
#             correlation consistent basis sets for the post-d group 16-18
#             elements
#     J. Chem. Phys., 119, 11113-11123 (2003)
#     10.1063/1.1622924
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     Peterson, Kirk A., Figgen, Detlev, Goll, Erich, Stoll, Hermann, Dolg,
#             Michael
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. II. Small-core pseudopotentials and
#             correlation consistent basis sets for the post-d group 16-18
#             elements
#     J. Chem. Phys., 119, 11113-11123 (2003)
#     10.1063/1.1622924
# 
# Y-Pd
#     ## cc-pVDZ-PP
#     Peterson, Kirk A., Figgen, Detlev, Dolg, Michael, Stoll, Hermann
#     Energy-consistent relativistic pseudopotentials and correlation
#             consistent basis sets for the 4d elements Y-Pd
#     J. Chem. Phys., 126, 124101 (2007)
#     10.1063/1.2647019
# 
#     ## aug-cc-pVDZ-PP Diffuse
#     Peterson, Kirk A., Figgen, Detlev, Dolg, Michael, Stoll, Hermann
#     Energy-consistent relativistic pseudopotentials and correlation
#             consistent basis sets for the 4d elements Y-Pd
#     J. Chem. Phys., 126, 124101 (2007)
#     10.1063/1.2647019
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     Peterson, Kirk A., Figgen, Detlev, Dolg, Michael, Stoll, Hermann
#     Energy-consistent relativistic pseudopotentials and correlation
#             consistent basis sets for the 4d elements Y-Pd
#     J. Chem. Phys., 126, 124101 (2007)
#     10.1063/1.2647019
# 
# I
#     ## cc-pVDZ-PP
#     Peterson, Kirk A., Figgen, Detlev, Goll, Erich, Stoll, Hermann, Dolg,
#             Michael
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. II. Small-core pseudopotentials and
#             correlation consistent basis sets for the post-d group 16-18
#             elements
#     J. Chem. Phys., 119, 11113-11123 (2003)
#     10.1063/1.1622924
# 
#     Peterson, Kirk A., Shepler, Benjamin C., Figgen, Detlev, Stoll,
#             Hermann
#     On the Spectroscopic and Thermochemical Properties of ClO, BrO, IO,
#             and Their Anions
#     J. Phys. Chem. A, 110, 13877-13883 (2006)
#     10.1021/jp065887l
# 
#     ## aug-cc-pVDZ-PP Diffuse
#     Peterson, Kirk A., Figgen, Detlev, Goll, Erich, Stoll, Hermann, Dolg,
#             Michael
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. II. Small-core pseudopotentials and
#             correlation consistent basis sets for the post-d group 16-18
#             elements
#     J. Chem. Phys., 119, 11113-11123 (2003)
#     10.1063/1.1622924
# 
#     Peterson, Kirk A., Shepler, Benjamin C., Figgen, Detlev, Stoll,
#             Hermann
#     On the Spectroscopic and Thermochemical Properties of ClO, BrO, IO,
#             and Their Anions
#     J. Phys. Chem. A, 110, 13877-13883 (2006)
#     10.1021/jp065887l
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     Peterson, Kirk A., Figgen, Detlev, Goll, Erich, Stoll, Hermann, Dolg,
#             Michael
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. II. Small-core pseudopotentials and
#             correlation consistent basis sets for the post-d group 16-18
#             elements
#     J. Chem. Phys., 119, 11113-11123 (2003)
#     10.1063/1.1622924
# 
#     Peterson, Kirk A., Shepler, Benjamin C., Figgen, Detlev, Stoll,
#             Hermann
#     On the Spectroscopic and Thermochemical Properties of ClO, BrO, IO,
#             and Their Anions
#     J. Phys. Chem. A, 110, 13877-13883 (2006)
#     10.1021/jp065887l
# 
# Hf-Pt
#     ## cc-pVDZ-PP
#     Figgen, Detlev, Peterson, Kirk A., Dolg, Michael, Stoll, Hermann
#     Energy-consistent pseudopotentials and correlation consistent basis
#             sets for the 5d elements Hf-Pt
#     J. Chem. Phys., 130, 164108 (2009)
#     10.1063/1.3119665
# 
#     ## aug-cc-pVDZ-PP Diffuse
#     Figgen, Detlev, Peterson, Kirk A., Dolg, Michael, Stoll, Hermann
#     Energy-consistent pseudopotentials and correlation consistent basis
#             sets for the 5d elements Hf-Pt
#     J. Chem. Phys., 130, 164108 (2009)
#     10.1063/1.3119665
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     Figgen, Detlev, Peterson, Kirk A., Dolg, Michael, Stoll, Hermann
#     Energy-consistent pseudopotentials and correlation consistent basis
#             sets for the 5d elements Hf-Pt
#     J. Chem. Phys., 130, 164108 (2009)
#     10.1063/1.3119665
# 
# Tl
#     ## cc-pVDZ-PP
#     Peterson, Kirk A.
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. I. Correlation consistent basis sets for the
#             post-d group 13-15 elements
#     J. Chem. Phys., 119, 11099-11112 (2003)
#     10.1063/1.1622923
# 
#     ## aug-cc-pVDZ-PP Diffuse
#     Peterson, Kirk A.
#     Systematically convergent basis sets with relativistic
#             pseudopotentials. I. Correlation consistent basis sets for the
#             post-d group 13-15 elements
#     J. Chem. Phys., 119, 11099-11112 (2003)
#     10.1063/1.1622923
# 
#     ## Stuttgart-Koeln MCDHF RSC ECP
#     Metz, Bernhard, Schweizer, Marcus, Stoll, Hermann, Dolg, Michael, Liu,
#             Wenjian
#     A small-core multiconfiguration Dirac-Hartree-Fock-adjusted
#             pseudopotential for Tl - application to Tl X ( X = F, Cl, Br,
#             I)
#     Theor. Chim. Acta, 104, 22-28 (2000)
#     10.1007/s002149900101
# 
# # 
basis "Cu_aug-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Cu    S
    560.0880000              0.0006370
     56.6486000             -0.0097350
     35.4258000              0.0657930
     11.0546000             -0.4150350
      2.3068200              0.7466110
      0.9514290              0.4621730
      0.1451840              0.0159830
Cu    S
    560.0880000             -0.0001360
     56.6486000              0.0014010
     35.4258000             -0.0131740
     11.0546000              0.0956950
      2.3068200             -0.2118740
      0.9514290             -0.2359440
      0.1451840              0.5081150
Cu    S
    560.0880000             -0.0003330
     56.6486000              0.0059300
     35.4258000             -0.0325490
     11.0546000              0.2110710
      2.3068200             -0.7305560
      0.9514290              0.1772420
      0.1451840              1.7148730
Cu    S
      0.0503250              1.0000000
Cu    S
      0.0174000              1.0000000
Cu    P
     70.9739000              0.0036820
     17.8510000             -0.0821280
      4.2467900              0.3753790
      1.8776000              0.5084090
      0.7933350              0.2390950
      0.1934760              0.0158500
Cu    P
     70.9739000             -0.0006280
     17.8510000              0.0165630
      4.2467900             -0.0845720
      1.8776000             -0.1412830
      0.7933350             -0.0035710
      0.1934760              0.5190050
Cu    P
     70.9739000             -0.0009100
     17.8510000              0.0299140
      4.2467900             -0.1660940
      1.8776000             -0.2780000
      0.7933350              0.1575840
      0.1934760              0.8304880
Cu    P
      0.0573930              1.0000000
Cu    P
      0.0170000              1.0000000
Cu    D
     60.3804000              0.0175640
     19.1121000              0.0991340
      6.9528800              0.2711710
      2.6099400              0.4061800
      0.9225670              0.3814270
Cu    D
     60.3804000             -0.0222860
     19.1121000             -0.1282740
      6.9528800             -0.3627970
      2.6099400             -0.3257220
      0.9225670              0.3270870
Cu    D
      0.2836420              1.0000000
Cu    D
      0.0872000              1.0000000
Cu    F
      2.7482000              1.0000000
Cu    F
      0.9066000              1.0000000
end


ecp "Cu_aug-cc-pvdz-pp"
Cu nelec 10
Cu ul
2       1.0000000              0.0000000
Cu S
2      30.1105430            355.7505120
2      13.0763100             70.9309060
Cu P
2      32.6926140             77.9699310
2      32.7703390            155.9274480
2      13.7510670             18.0211320
2      13.3221660             36.0943720
Cu D
2      38.9965110            -12.3434100
2      39.5397880            -18.2733620
2      12.2875110             -0.9847050
2      11.4593000             -1.3187470
Cu F
2       6.1901020             -0.2272640
2       8.1187800             -0.4687730
end
basis "Zn_aug-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Zn    S
    629.1260000              0.0005590
     62.9635000             -0.0096800
     39.5791000              0.0623540
     11.9173000             -0.4148790
      2.5082400              0.7544660
      1.0301900              0.4589960
      0.1540020              0.0116640
Zn    S
    629.1260000             -0.0001210
     62.9635000              0.0014890
     39.5791000             -0.0127370
     11.9173000              0.0972460
      2.5082400             -0.2199170
      1.0301900             -0.2364740
      0.1540020              0.5812910
Zn    S
    629.1260000              0.0004210
     62.9635000             -0.0051090
     39.5791000              0.0414470
     11.9173000             -0.3416430
      2.5082400              1.4386170
      1.0301900             -0.9824290
      0.1540020             -1.1876310
Zn    S
      0.0527950              1.0000000
Zn    S
      0.0181000              1.0000000
Zn    P
     92.9034000              0.0024880
     19.7452000             -0.0791360
      4.5507300              0.3880590
      2.0019000              0.5093540
      0.8438790              0.2245750
      0.2033810              0.0126800
Zn    P
     92.9034000             -0.0004030
     19.7452000              0.0154470
      4.5507300             -0.0843250
      2.0019000             -0.1364890
      0.8438790              0.0008020
      0.2033810              0.5157920
Zn    P
     92.9034000             -0.0005300
     19.7452000              0.0247430
      4.5507300             -0.1424780
      2.0019000             -0.2340320
      0.8438790              0.0921870
      0.2033810              0.8377700
Zn    P
      0.0595720              1.0000000
Zn    P
      0.0174000              1.0000000
Zn    D
     71.2766000              0.0158950
     22.7604000              0.0924540
      8.3236900              0.2594720
      3.1687500              0.4033140
      1.1470300              0.3878340
Zn    D
     71.2766000             -0.0225160
     22.7604000             -0.1333030
      8.3236900             -0.3932530
      3.1687500             -0.3512140
      1.1470300              0.4061710
Zn    D
      0.3666430              1.0000000
Zn    D
      0.1172000              1.0000000
Zn    F
      3.2168000              1.0000000
Zn    F
      1.0870000              1.0000000
end


ecp "Zn_aug-cc-pvdz-pp"
Zn nelec 10
Zn ul
2       1.0000000              0.0000000
Zn S
2      34.1740010            399.9863990
2      14.4563710             85.4897500
Zn P
2      39.8886830             92.3810770
2      39.6550170            184.7711760
2      15.2905460             23.0025410
2      14.9035240             46.0574270
Zn D
2      43.7082960            -13.6907340
2      43.6985360            -20.5439800
2      15.1507180             -1.3161540
2      15.2824410             -1.8387150
Zn F
2       8.1600140             -0.3703600
2      12.2284220             -1.0629430
end
basis "Ga_aug-cc-pvdz-pp" 
#basis SET: (15s,14p,8d) -> [5s,4p,3d]
Ga    S
   2848.2000000              0.0003620
    420.6640000              0.0021170
     29.8118000              0.1189640
     14.2207000             -0.4617230
      2.6764300              0.7515590
      1.1335300              0.4472020
Ga    S
   2848.2000000             -0.0000970
    420.6640000             -0.0006140
     29.8118000             -0.0310690
     14.2207000              0.1267840
      2.6764300             -0.2642880
      1.1335300             -0.2754710
Ga    S
      0.2072200              1.0000000
Ga    S
      0.0732510              1.0000000
Ga    S
      0.0222000              1.0000000
Ga    P
    109.6240000              0.0021010
     21.0855000             -0.0801960
      4.9226000              0.3964150
      2.1559100              0.5190760
      0.9019130              0.2075200
      0.2020040              0.0078250
Ga    P
    109.6240000             -0.0002880
     21.0855000              0.0135550
      4.9226000             -0.0736290
      2.1559100             -0.1208600
      0.9019130             -0.0019600
      0.2020040              0.4932060
Ga    P
      0.0574620              1.0000000
Ga    P
      0.0145000              1.0000000
Ga    D
     85.7978000              0.0146680
     27.6822000              0.0856210
     10.1760000              0.2483360
      3.9220800              0.4014140
      1.4585800              0.3986040
      0.4887600              0.1868980
Ga    D
      0.1772000              1.0000000
Ga    D
      0.0514000              1.0000000
end


ecp "Ga_aug-cc-pvdz-pp"
Ga nelec 10
Ga ul
2       1.0000000              0.0000000
Ga S
2      25.8803610            370.2730400
2       7.9012950              9.1906150
Ga P
2      45.1491900             99.1440010
2      44.9799810            198.2955120
2      17.2242510             28.4456530
2      16.7473290             56.9497050
Ga D
2      51.9688120            -18.1687970
2      51.6291170            -27.3802730
2      15.2417380             -1.5870220
2      15.3201930             -2.5162920
2       4.9185890              0.0831660
2       4.7551030              0.2021980
Ga F
2      10.7622630             -0.6169900
2      19.8529390             -3.1385840
end
basis "Ge_aug-cc-pvdz-pp" 
#basis SET: (15s,14p,8d) -> [5s,4p,3d]
Ge    S
   2611.7400000              0.0006560
    390.0300000              0.0035950
     34.2279000              0.1001260
     15.1072000             -0.4349590
      2.9277400              0.7355000
      1.2715900              0.4585920
Ge    S
   2611.7400000             -0.0002010
    390.0300000             -0.0011760
     34.2279000             -0.0291870
     15.1072000              0.1340270
      2.9277400             -0.2958060
      1.2715900             -0.3087300
Ge    S
      0.2624970              1.0000000
Ge    S
      0.0943060              1.0000000
Ge    S
      0.0310000              1.0000000
Ge    P
    108.3790000              0.0026780
     22.6697000             -0.0807630
      5.3689700              0.3986760
      2.3602500              0.5230260
      1.0045800              0.1984560
      0.2608400              0.0074040
Ge    P
    108.3790000             -0.0004610
     22.6697000              0.0166580
      5.3689700             -0.0917910
      2.3602500             -0.1485590
      1.0045800              0.0003080
      0.2608400              0.5385500
Ge    P
      0.0792270              1.0000000
Ge    P
      0.0232000              1.0000000
Ge    D
     98.8248000              0.0130960
     32.0078000              0.0811490
     11.8456000              0.2432460
      4.6277200              0.4014740
      1.7584400              0.4024370
      0.6091920              0.1785400
Ge    D
      0.2425000              1.0000000
Ge    D
      0.0780000              1.0000000
end


ecp "Ge_aug-cc-pvdz-pp"
Ge nelec 10
Ge ul
2       1.0000000              0.0000000
Ge S
2      27.2422250            370.2360900
2       7.4679480              9.2146290
Ge P
2      45.5679910             99.1350340
2      45.5175050            198.2714540
2      18.2457690             28.3881210
2      17.6510780             56.8034710
Ge D
2      52.7605980            -17.9670850
2      53.1366630            -26.8155390
2      14.5640790             -1.3838930
2      12.6318570             -2.0726630
2       3.9230420              0.0803340
2       3.7387740              0.2385290
Ge F
2      11.4073780             -0.7056800
2      18.4290540             -2.4759510
end
basis "As_aug-cc-pvdz-pp" 
#basis SET: (15s,14p,8d) -> [5s,4p,3d]
As    S
   2542.8100000              0.0011370
    381.1690000              0.0060550
     40.2342000              0.0841250
     16.1217000             -0.4052850
      3.2018900              0.7129260
      1.4209600              0.4733760
As    S
   2542.8100000             -0.0003900
    381.1690000             -0.0021900
     40.2342000             -0.0268530
     16.1217000              0.1368780
      3.2018900             -0.3204570
      1.4209600             -0.3373910
As    S
      0.3214430              1.0000000
As    S
      0.1167350              1.0000000
As    S
      0.0370000              1.0000000
As    P
     99.5349000              0.0038570
     24.1195000             -0.0851010
      5.8419600              0.4047620
      2.5601000              0.5314780
      1.0930800              0.1840120
      0.3184240              0.0057640
As    P
     99.5349000             -0.0007720
     24.1195000              0.0199410
      5.8419600             -0.1072100
      2.5601000             -0.1722590
      1.0930800              0.0087610
      0.3184240              0.5697440
As    P
      0.1009720              1.0000000
As    P
      0.0308000              1.0000000
As    D
    113.5090000              0.0119800
     36.8872000              0.0795440
     13.6893000              0.2367550
      5.3896400              0.4015340
      2.0804600              0.4066860
      0.7375680              0.1731620
As    D
      0.3078000              1.0000000
As    D
      0.1000000              1.0000000
end


ecp "As_aug-cc-pvdz-pp"
As nelec 10
As ul
2       1.0000000              0.0000000
As S
2      28.7251220            370.1140250
2       6.7676810              9.3492960
As P
2      45.3310640             99.1421030
2      44.7674150            198.3078800
2      19.5390900             28.3830730
2      18.9734710             56.8714640
As D
2      51.0571520            -18.4851450
2      50.1513400            -28.1135300
2      16.1089360             -1.2238950
2      14.6722230             -1.3457650
2       3.8519270              0.1017570
2       3.8135020              0.1703380
As F
2      11.9405840             -0.7752300
2      17.7611600             -2.1572590
end
basis "Se_aug-cc-pvdz-pp" 
#basis SET: (15s,14p,8d) -> [5s,4p,3d]
Se    S
   2609.7204000              0.0018290
    391.5228000              0.0097060
     48.2893000              0.0716060
     16.8019000             -0.3839800
      3.5149000              0.6919260
      1.5894000              0.4918930
Se    S
   2609.7204000             -0.0006940
    391.5228000             -0.0038660
     48.2893000             -0.0248390
     16.8019000              0.1402070
      3.5149000             -0.3422800
      1.5894000             -0.3645980
Se    S
      0.3830000              1.0000000
Se    S
      0.1399000              1.0000000
Se    S
      0.0433000              1.0000000
Se    P
    100.0192000              0.0047610
     25.8909000             -0.0848990
      6.2093000              0.4286550
      2.6613000              0.5430600
      1.0929000              0.1492830
      0.3597000              0.0010710
Se    P
    100.0192000             -0.0010580
     25.8909000              0.0217090
      6.2093000             -0.1262430
      2.6613000             -0.1935450
      1.0929000              0.0473730
      0.3597000              0.5918060
Se    P
      0.1137000              1.0000000
Se    P
      0.0345000              1.0000000
Se    D
    128.5080000              0.0110110
     41.5212000              0.0778560
     15.5182000              0.2328190
      6.1608200              0.4017880
      2.4113400              0.4089460
      0.8719360              0.1680930
Se    D
      0.3656000              1.0000000
Se    D
      0.1260000              1.0000000
end


ecp "Se_aug-cc-pvdz-pp"
Se nelec 10
Se ul
2       1.0000000              0.0000000
Se S
2      30.0469900            370.1228880
2       6.9186880             10.4561680
Se P
2      45.7730140             99.1350590
2      45.2946420            198.2924830
2      20.7396480             28.3387470
2      20.0286010             56.7497470
Se D
2      50.9417680            -18.5265560
2      49.5947400            -28.3349210
2      16.3235220             -0.6960890
2      14.4651960             -1.1678910
2       3.7753300              0.0414430
2       3.5019530              0.2355830
Se F
2      11.9508670             -0.7662620
2      17.8107800             -2.1027420
end
basis "Br_aug-cc-pvdz-pp" 
#basis SET: (15s,14p,8d) -> [5s,4p,3d]
Br    S
   2808.6000000              0.0016060
    421.1800000              0.0083930
     50.3457000              0.0695780
     17.9133000             -0.3899080
      3.8053100              0.6944970
      1.7496800              0.4913540
Br    S
   2808.6000000             -0.0006350
    421.1800000             -0.0034920
     50.3457000             -0.0251950
     17.9133000              0.1501130
      3.8053100             -0.3662260
      1.7496800             -0.3834220
Br    S
      0.4485550              1.0000000
Br    S
      0.1644980              1.0000000
Br    S
      0.0502000              1.0000000
Br    P
    105.7520000              0.0053410
     27.6368000             -0.0830840
      6.5965600              0.4477660
      2.7852200              0.5506170
      1.0781200              0.1235000
      0.3935370             -0.0037710
Br    P
    105.7520000             -0.0013080
     27.6368000              0.0229210
      6.5965600             -0.1450290
      2.7852200             -0.2090370
      1.0781200              0.0937300
      0.3935370              0.6050210
Br    P
      0.1274690              1.0000000
Br    P
      0.0394000              1.0000000
Br    D
    143.8650000              0.0102370
     46.1163000              0.0760830
     17.3694000              0.2298070
      6.9510700              0.4033470
      2.7560700              0.4097280
      1.0117800              0.1627900
Br    D
      0.4291000              1.0000000
Br    D
      0.1548000              1.0000000
end


ecp "Br_aug-cc-pvdz-pp"
Br nelec 10
Br ul
2       1.0000000              0.0000000
Br S
2      70.0242570             49.9628340
2      31.1784120            370.0142050
2       7.1565930             10.2414390
Br P
2      46.7734710             99.1122440
2      46.1841200            198.2530460
2      21.7138580             28.2617400
2      20.9417920             56.6233660
Br D
2      50.6988390            -18.6058530
2      50.6447640            -27.9232800
2      15.4475090             -0.3796930
2      15.5002590             -0.7805830
2       2.8003910              0.0359680
2       1.0774800              0.0943970
Br F
2      14.4656060             -1.0912690
2      21.2340650             -2.8876910
end
basis "Kr_aug-cc-pvdz-pp" 
#basis SET: (15s,14p,8d) -> [5s,4p,3d]
Kr    S
   2953.7500000              0.0024390
    443.1400000              0.0128680
     60.2268000              0.0634630
     18.2113000             -0.3849140
      4.2286600              0.6677030
      1.9670300              0.5244550
Kr    S
   2953.7500000             -0.0010480
    443.1400000             -0.0058030
     60.2268000             -0.0245890
     18.2113000              0.1562020
      4.2286600             -0.3742040
      1.9670300             -0.4126360
Kr    S
      0.5141110              1.0000000
Kr    S
      0.1898500              1.0000000
Kr    S
      0.0571000              1.0000000
Kr    P
    111.0130000              0.0060670
     29.1923000             -0.0832390
      7.0812000              0.4575930
      2.9808900              0.5551010
      1.1049100              0.1106640
      0.4287160             -0.0078940
Kr    P
    111.0130000             -0.0016020
     29.1923000              0.0243160
      7.0812000             -0.1594620
      2.9808900             -0.2199440
      1.1049100              0.1369710
      0.4287160              0.6096080
Kr    P
      0.1428910              1.0000000
Kr    P
      0.0443000              1.0000000
Kr    D
    159.6040000              0.0096730
     50.7517000              0.0749540
     19.2789000              0.2275310
      7.7583600              0.4035260
      3.1064900              0.4110820
      1.1555800              0.1588670
Kr    D
      0.5000000              1.0000000
Kr    D
      0.1836000              1.0000000
end


ecp "Kr_aug-cc-pvdz-pp"
Kr nelec 10
Kr ul
2       1.0000000              0.0000000
Kr S
2      70.0344100             49.9538350
2      31.8959710            369.9782380
2       7.3537280             10.0545440
Kr P
2      47.2651830             99.1018330
2      46.6642680            198.2325240
2      23.0081330             28.2046700
2      22.1009790             56.5167920
Kr D
2      50.7681650            -18.5888770
2      50.7822280            -27.8753980
2      15.4794970             -0.2934110
2      15.5593830             -0.4693990
2       2.8771540              0.0688810
2       1.9911960              0.1322700
Kr F
2      15.4375670             -1.2233890
2      22.0557420             -2.9912330
end
basis "Y_aug-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Y    S
     29.2935000              0.0066660
     16.6827000             -0.0497340
     10.4235000              0.1315590
      3.0952600             -0.5243820
      0.7079710              0.7863790
      0.3225670              0.4639580
      0.0690850              0.0204860
Y    S
     29.2935000             -0.0013580
     16.6827000              0.0123920
     10.4235000             -0.0375720
      3.0952600              0.1741090
      0.7079710             -0.3385090
      0.3225670             -0.3354170
      0.0690850              0.6581470
Y    S
     29.2935000              0.0112420
     16.6827000             -0.0574010
     10.4235000              0.1106480
      3.0952600             -0.3769430
      0.7079710              1.2026360
      0.3225670             -0.4875820
      0.0690850             -1.8636390
Y    S
      0.0274150              1.0000000
Y    S
      0.0109000              1.0000000
Y    P
      9.0271500              0.0203960
      4.0242700             -0.1536620
      0.9906740              0.4320820
      0.4727970              0.4983480
      0.2197340              0.1957420
      0.0800880              0.0140830
Y    P
      9.0271500             -0.0056190
      4.0242700              0.0465110
      0.9906740             -0.1495270
      0.4727970             -0.2243370
      0.2197340             -0.0114700
      0.0800880              0.6364970
Y    P
      9.0271500              0.0111310
      4.0242700             -0.0963010
      0.9906740              0.2986850
      0.4727970              0.8892190
      0.2197340             -1.4854780
      0.0800880             -0.1131120
Y    P
      0.0306400              1.0000000
Y    P
      0.0117000              1.0000000
Y    D
      4.3045000             -0.0043910
      1.3201900              0.1196820
      0.5614050              0.2962740
      0.2267020              0.3908730
      0.0879490              0.3539610
Y    D
      4.3045000              0.0044330
      1.3201900             -0.1499100
      0.5614050             -0.3732930
      0.2267020             -0.3129870
      0.0879490              0.4218970
Y    D
      0.0323050              1.0000000
Y    D
      0.0119000              1.0000000
Y    F
      0.2028000              1.0000000
Y    F
      0.0484000              1.0000000
end


ecp "Y_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Zr    S
     53.4460000              0.0014860
     17.0981000             -0.0365920
     10.6875000              0.1321550
      3.3913400             -0.5464540
      0.7884750              0.8022910
      0.3599820              0.4583040
      0.0777920              0.0203880
Zr    S
     53.4460000             -0.0003080
     17.0981000              0.0096310
     10.6875000             -0.0390430
      3.3913400              0.1847170
      0.7884750             -0.3584690
      0.3599820             -0.3208280
      0.0777920              0.6560480
Zr    S
     53.4460000              0.0028110
     17.0981000             -0.0412920
     10.6875000              0.1148910
      3.3913400             -0.4348090
      0.7884750              1.4174320
      0.3599820             -0.7286190
      0.0777920             -1.6769590
Zr    S
      0.0302340              1.0000000
Zr    S
      0.0118000              1.0000000
Zr    P
      9.9011600              0.0214360
      4.4181900             -0.1604130
      1.0931000              0.4543260
      0.5187860              0.4991190
      0.2363630              0.1777830
      0.0847070              0.0104040
Zr    P
      9.9011600             -0.0058310
      4.4181900              0.0481520
      1.0931000             -0.1600800
      0.5187860             -0.2201350
      0.2363630              0.0355150
      0.0847070              0.6181780
Zr    P
      9.9011600             -0.0078290
      4.4181900              0.0660080
      1.0931000             -0.2113740
      0.5187860             -0.3575490
      0.2363630              0.1703870
      0.0847070              0.8518400
Zr    P
      0.0311380              1.0000000
Zr    P
      0.0114000              1.0000000
Zr    D
      4.3948700             -0.0082920
      1.5708900              0.1278490
      0.6923540              0.3219090
      0.2904140              0.3998190
      0.1158780              0.3194760
Zr    D
      4.3948700              0.0084760
      1.5708900             -0.1579890
      0.6923540             -0.3979000
      0.2904140             -0.2555990
      0.1158780              0.4914180
Zr    D
      0.0429250              1.0000000
Zr    D
      0.0159000              1.0000000
Zr    F
      0.3272000              1.0000000
Zr    F
      0.0891000              1.0000000
end


ecp "Zr_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Nb    S
     80.8096000              0.0008890
     17.9220000             -0.0347930
     11.2050000              0.1389100
      3.6990100             -0.5655680
      0.8712090              0.8147210
      0.3974440              0.4547970
      0.0854690              0.0200510
Nb    S
     80.8096000             -0.0002000
     17.9220000              0.0093020
     11.2050000             -0.0414910
      3.6990100              0.1923710
      0.8712090             -0.3713520
      0.3974440             -0.3068350
      0.0854690              0.6546160
Nb    S
     80.8096000              0.0015640
     17.9220000             -0.0382840
     11.2050000              0.1209450
      3.6990100             -0.4647790
      0.8712090              1.5031600
      0.3974440             -0.8262330
      0.0854690             -1.5845850
Nb    S
      0.0326640              1.0000000
Nb    S
      0.0125000              1.0000000
Nb    P
     10.6457000              0.0234360
      4.8235100             -0.1683110
      1.2030900              0.4693810
      0.5695080              0.4980520
      0.2569700              0.1675400
      0.0929460              0.0087660
Nb    P
     10.6457000             -0.0064960
      4.8235100              0.0513810
      1.2030900             -0.1706080
      0.5695080             -0.2198720
      0.2569700              0.0561670
      0.0929460              0.6165950
Nb    P
     10.6457000             -0.0091300
      4.8235100              0.0732300
      1.2030900             -0.2370360
      0.5695080             -0.3685640
      0.2569700              0.2364390
      0.0929460              0.8267330
Nb    P
      0.0338800              1.0000000
Nb    P
      0.0123000              1.0000000
Nb    D
      4.5456300             -0.0104650
      1.8272300              0.1305530
      0.8257640              0.3347580
      0.3551560              0.4020270
      0.1447240              0.3008350
Nb    D
      4.5456300              0.0105280
      1.8272300             -0.1615000
      0.8257640             -0.4113720
      0.3551560             -0.2117820
      0.1447240              0.4861590
Nb    D
      0.0543230              1.0000000
Nb    D
      0.0204000              1.0000000
Nb    F
      0.4690000              1.0000000
Nb    F
      0.1387000              1.0000000
end


ecp "Nb_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Mo    S
    106.9780000              0.0007350
     18.8824000             -0.0350900
     11.8077000              0.1473480
      4.0211800             -0.5833630
      0.9568160              0.8256350
      0.4356920              0.4523110
      0.0925180              0.0190550
Mo    S
    106.9780000             -0.0001760
     18.8824000              0.0093320
     11.8077000             -0.0438110
      4.0211800              0.1972320
      0.9568160             -0.3773110
      0.4356920             -0.2939670
      0.0925180              0.6498330
Mo    S
    106.9780000              0.0011660
     18.8824000             -0.0376070
     11.8077000              0.1259800
      4.0211800             -0.4752370
      0.9568160              1.4989830
      0.4356920             -0.8223450
      0.0925180             -1.5606240
Mo    S
      0.0348540              1.0000000
Mo    S
      0.0131000              1.0000000
Mo    P
     11.4118000              0.0253450
      5.2453500             -0.1752130
      1.3188400              0.4812720
      0.6229830              0.4972610
      0.2791080              0.1595550
      0.1005260              0.0075430
Mo    P
     11.4118000             -0.0070220
      5.2453500              0.0533390
      1.3188400             -0.1756430
      0.6229830             -0.2162130
      0.2791080              0.0679580
      0.1005260              0.6128160
Mo    P
     11.4118000             -0.0104200
      5.2453500              0.0798670
      1.3188400             -0.2629000
      0.6229830             -0.3651840
      0.2791080              0.2866730
      0.1005260              0.8002580
Mo    P
      0.0362770              1.0000000
Mo    P
      0.0131000              1.0000000
Mo    D
      5.2576100             -0.0147610
      2.1046200              0.1319820
      0.9582010              0.3470860
      0.4140470              0.4054710
      0.1684500              0.2880580
Mo    D
      5.2576100              0.0154390
      2.1046200             -0.1606210
      0.9582010             -0.4232290
      0.4140470             -0.1923390
      0.1684500              0.5314590
Mo    D
      0.0623420              1.0000000
Mo    D
      0.0231000              1.0000000
Mo    F
      0.6007000              1.0000000
Mo    F
      0.1850000              1.0000000
end


ecp "Mo_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Tc    S
    132.6560000              0.0006860
     19.8986000             -0.0360010
     12.4450000              0.1564650
      4.3605000             -0.5995730
      1.0443600              0.8357100
      0.4741590              0.4490550
      0.0987360              0.0183780
Tc    S
    132.6560000             -0.0001680
     19.8986000              0.0093110
     12.4450000             -0.0455350
      4.3605000              0.1986020
      1.0443600             -0.3749740
      0.4741590             -0.2817600
      0.0987360              0.6329980
Tc    S
    132.6560000              0.0009800
     19.8986000             -0.0378410
     12.4450000              0.1317670
      4.3605000             -0.4834180
      1.0443600              1.4848540
      0.4741590             -0.8047310
      0.0987360             -1.5511910
Tc    S
      0.0367360              1.0000000
Tc    S
      0.0137000              1.0000000
Tc    P
     12.1789000              0.0273140
      5.6848400             -0.1814030
      1.4398300              0.4908910
      0.6789090              0.4965410
      0.3025150              0.1532990
      0.1073070              0.0067000
Tc    P
     12.1789000             -0.0074300
      5.6848400              0.0541370
      1.4398300             -0.1762270
      0.6789090             -0.2096540
      0.3025150              0.0734980
      0.1073070              0.6070490
Tc    P
     12.1789000             -0.0116300
      5.6848400              0.0854050
      1.4398300             -0.2844050
      0.6789090             -0.3578760
      0.3025150              0.3260330
      0.1073070              0.7801240
Tc    P
      0.0381770              1.0000000
Tc    P
      0.0136000              1.0000000
Tc    D
      5.7601300             -0.0164110
      2.3642400              0.1344070
      1.0887100              0.3547260
      0.4740600              0.4044790
      0.1936070              0.2788770
Tc    D
      5.7601300              0.0169910
      2.3642400             -0.1548960
      1.0887100             -0.4281920
      0.4740600             -0.1789920
      0.1936070              0.5346560
Tc    D
      0.0714600              1.0000000
Tc    D
      0.0264000              1.0000000
Tc    F
      0.7228000              1.0000000
Tc    F
      0.2272000              1.0000000
end


ecp "Tc_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Ru    S
    159.3720000              0.0006730
     20.9016000             -0.0371610
     13.0741000              0.1665170
      4.7147400             -0.6159540
      1.1361200              0.8428300
      0.5154640              0.4477630
      0.1067670              0.0184450
Ru    S
    159.3720000             -0.0001690
     20.9016000              0.0093920
     13.0741000             -0.0477130
      4.7147400              0.2011130
      1.1361200             -0.3734210
      0.5154640             -0.2738590
      0.1067670              0.6093840
Ru    S
    159.3720000              0.0008950
     20.9016000             -0.0396350
     13.0741000              0.1442430
      4.7147400             -0.5192870
      1.1361200              1.5854040
      0.5154640             -0.9082030
      0.1067670             -1.4720020
Ru    S
      0.0392180              1.0000000
Ru    S
      0.0144000              1.0000000
Ru    P
     12.8738000              0.0299680
      6.1475000             -0.1879300
      1.5652400              0.4999900
      0.7361940              0.4957320
      0.3263170              0.1475150
      0.1124070              0.0060880
Ru    P
     12.8738000             -0.0078010
      6.1475000              0.0536560
      1.5652400             -0.1719400
      0.7361940             -0.1991700
      0.3263170              0.0744110
      0.1124070              0.5971370
Ru    P
     12.8738000             -0.0135020
      6.1475000              0.0937330
      1.5652400             -0.3159100
      0.7361940             -0.3618000
      0.3263170              0.4008770
      0.1124070              0.7537660
Ru    P
      0.0391720              1.0000000
Ru    P
      0.0137000              1.0000000
Ru    D
      6.2126500             -0.0245970
      2.7853900              0.1273340
      1.2685100              0.3570810
      0.5517900              0.4082070
      0.2247310              0.2812400
Ru    D
      6.2126500              0.0261160
      2.7853900             -0.1459400
      1.2685100             -0.4425210
      0.5517900             -0.1690200
      0.2247310              0.5052370
Ru    D
      0.0824110              1.0000000
Ru    D
      0.0302000              1.0000000
Ru    F
      0.8500000              1.0000000
Ru    F
      0.2719000              1.0000000
end


ecp "Ru_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Rh    S
    184.6660000              0.0006920
     21.9974000             -0.0383930
     13.7616000              0.1760190
      5.0872000             -0.6299250
      1.2294000              0.8495440
      0.5568140              0.4457290
      0.1140670              0.0182040
Rh    S
    184.6660000             -0.0001780
     21.9974000              0.0094560
     13.7616000             -0.0494720
      5.0872000              0.2018670
      1.2294000             -0.3698090
      0.5568140             -0.2653310
      0.1140670              0.5891540
Rh    S
    184.6660000              0.0008370
     21.9974000             -0.0402860
     13.7616000              0.1506490
      5.0872000             -0.5268510
      1.2294000              1.5723820
      0.5568140             -0.8876430
      0.1140670             -1.4709450
Rh    S
      0.0414150              1.0000000
Rh    S
      0.0150000              1.0000000
Rh    P
     13.6985000              0.0318210
      6.6247600             -0.1930280
      1.6961300              0.5062420
      0.7973510              0.4949020
      0.3520340              0.1440300
      0.1233420              0.0056080
Rh    P
     13.6985000             -0.0085830
      6.6247600              0.0568110
      1.6961300             -0.1801720
      0.7973510             -0.2034110
      0.3520340              0.0848180
      0.1233420              0.6010570
Rh    P
     13.6985000             -0.0151640
      6.6247600              0.1011250
      1.6961300             -0.3456410
      0.7973510             -0.3454850
      0.3520340              0.4221020
      0.1233420              0.7304790
Rh    P
      0.0431300              1.0000000
Rh    P
      0.0151000              1.0000000
Rh    D
     18.7370000              0.0064810
     11.7046000             -0.0139420
      2.2555800              0.2506820
      0.9494110              0.4511110
      0.3661640              0.3839990
Rh    D
     18.7370000             -0.0075900
     11.7046000              0.0162940
      2.2555800             -0.3347730
      0.9494110             -0.4463960
      0.3661640              0.3299670
Rh    D
      0.1239770              1.0000000
Rh    D
      0.0420000              1.0000000
Rh    F
      0.9936000              1.0000000
Rh    F
      0.3222000              1.0000000
end


ecp "Rh_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Pd    S
    208.1230000              0.0007270
     22.8525000             -0.0409280
     14.2986000              0.1922850
      5.4880100             -0.6501040
      1.3253200              0.8565530
      0.5989570              0.4438760
      0.1209830              0.0178500
Pd    S
    208.1230000             -0.0001890
     22.8525000              0.0098180
     14.2986000             -0.0528760
      5.4880100              0.2035110
      1.3253200             -0.3639350
      0.5989570             -0.2582190
      0.1209830              0.5704320
Pd    S
    208.1230000              0.0008000
     22.8525000             -0.0417810
     14.2986000              0.1593620
      5.4880100             -0.5231230
      1.3253200              1.4917730
      0.5989570             -0.7916960
      0.1209830             -1.5172540
Pd    S
      0.0434590              1.0000000
Pd    S
      0.0156000              1.0000000
Pd    P
     14.0509000              0.0379970
      7.1390600             -0.2040770
      1.8300700              0.5137680
      0.8583350              0.4942400
      0.3772750              0.1402910
      0.1256960              0.0051570
Pd    P
     14.0509000             -0.0093130
      7.1390600              0.0546710
      1.8300700             -0.1661610
      0.8583350             -0.1858420
      0.3772750              0.0731610
      0.1256960              0.5861720
Pd    P
     14.0509000             -0.0186030
      7.1390600              0.1098650
      1.8300700             -0.3664000
      0.8583350             -0.3473160
      0.3772750              0.4820340
      0.1256960              0.7096400
Pd    P
      0.0426590              1.0000000
Pd    P
      0.0145000              1.0000000
Pd    D
     19.2539000              0.0066240
     10.5848000             -0.0184110
      2.4561900              0.2633960
      1.0352900              0.4524480
      0.4020080              0.3758330
Pd    D
     19.2539000             -0.0078390
     10.5848000              0.0218380
      2.4561900             -0.3691550
      1.0352900             -0.4309590
      0.4020080              0.3749650
Pd    D
      0.1370570              1.0000000
Pd    D
      0.0467000              1.0000000
Pd    F
      1.1484000              1.0000000
Pd    F
      0.3788000              1.0000000
end


ecp "Pd_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Ag    S
    180.0750000              0.0008490
     21.8987000             -0.0654500
     13.8670000              0.2977650
      6.1426300             -0.7531210
      1.4381400              0.8811750
      0.6483820              0.4351760
      0.1288820              0.0147380
Ag    S
    180.0750000             -0.0002030
     21.8987000              0.0157230
     13.8670000             -0.0792290
      6.1426300              0.2226340
      1.4381400             -0.3491960
      0.6483820             -0.2559780
      0.1288820              0.5486660
Ag    S
    180.0750000             -0.0008620
     21.8987000              0.0525460
     13.8670000             -0.2081000
      6.1426300              0.5249720
      1.4381400             -1.2701730
      0.6483820              0.5393730
      0.1288820              1.6533910
Ag    S
      0.0457380              1.0000000
Ag    S
      0.0162000              1.0000000
Ag    P
     11.8751000              0.1162480
      8.0024500             -0.3072860
      2.0176600              0.5157360
      0.9542300              0.5031040
      0.4231180              0.1420950
      0.1358850              0.0051530
Ag    P
     11.8751000             -0.0282840
      8.0024500              0.0783470
      2.0176600             -0.1567410
      0.9542300             -0.1886250
      0.4231180              0.0635650
      0.1358850              0.5817780
Ag    P
     11.8751000             -0.0528570
      8.0024500              0.1470390
      2.0176600             -0.3129730
      0.9542300             -0.3708280
      0.4231180              0.4236290
      0.1358850              0.7536550
Ag    P
      0.0454010              1.0000000
Ag    P
      0.0152000              1.0000000
Ag    D
     26.4320000              0.0034790
     11.0345000             -0.0138480
      2.7378700              0.2545990
      1.1957500              0.4498490
      0.4820420              0.3757380
Ag    D
     26.4320000             -0.0047330
     11.0345000              0.0190700
      2.7378700             -0.4332980
      1.1957500             -0.4445680
      0.4820420              0.4914420
Ag    D
      0.1729080              1.0000000
Ag    D
      0.0620000              1.0000000
Ag    F
      1.3299000              1.0000000
Ag    F
      0.4449000              1.0000000
end


ecp "Ag_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Cd    S
    223.8530000              0.0008710
     23.0948000             -0.0643070
     14.6522000              0.3013160
      6.5704440             -0.7605240
      1.5378300              0.8940710
      0.6909840              0.4278790
      0.1349130              0.0101880
Cd    S
    223.8530000             -0.0002290
     23.0948000              0.0155940
     14.6522000             -0.0810470
      6.5704440              0.2272510
      1.5378300             -0.3625630
      0.6909840             -0.2507830
      0.1349130              0.6135330
Cd    S
    223.8530000              0.0010770
     23.0948000             -0.0716490
     14.6522000              0.2889750
      6.5704440             -0.7315460
      1.5378300              1.9768990
      0.6909840             -1.3519510
      0.1349130             -1.1186740
Cd    S
      0.0474420              1.0000000
Cd    S
      0.0167000              1.0000000
Cd    P
     13.7175000              0.0776160
      8.4632200             -0.2579430
      2.1182000              0.5352740
      0.9892620              0.4963620
      0.4317810              0.1231090
      0.1391600              0.0032100
Cd    P
     13.7175000             -0.0180110
      8.4632200              0.0637170
      2.1182000             -0.1587410
      0.9892620             -0.1762800
      0.4317810              0.0710060
      0.1391600              0.5775860
Cd    P
     13.7175000             -0.0307300
      8.4632200              0.1087440
      2.1182000             -0.2782310
      0.9892620             -0.3293900
      0.4317810              0.3546300
      0.1391600              0.7814580
Cd    P
      0.0461490              1.0000000
Cd    P
      0.0153000              1.0000000
Cd    D
     31.6697000              0.0031630
     12.2214000             -0.0117910
      3.1219900              0.2411940
      1.3894100              0.4489980
      0.5732030              0.3802110
Cd    D
     31.6697000             -0.0048710
     12.2214000              0.0185820
      3.1219900             -0.4766730
      1.3894100             -0.4576040
      0.5732030              0.5714620
Cd    D
      0.2117080              1.0000000
Cd    D
      0.0782000              1.0000000
Cd    F
      1.5393000              1.0000000
Cd    F
      0.5177000              1.0000000
end


ecp "Cd_aug-cc-pvdz-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 "In_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
In    S
    265.1310000              0.0007700
     25.5694000             -0.0527910
     16.0041000              0.2593430
      6.8188500             -0.7392890
      1.6667600              0.8857730
      0.7692320              0.4425920
In    S
    265.1310000             -0.0002300
     25.5694000              0.0140880
     16.0041000             -0.0786150
      6.8188500              0.2528640
      1.6667600             -0.4155450
      0.7692320             -0.2966470
In    S
      0.1704150              1.0000000
In    S
      0.0622300              1.0000000
In    S
      0.0203000              1.0000000
In    P
     14.4691000              0.0901770
      9.2808300             -0.2676420
      2.0820100              0.6644830
      0.8443140              0.4616900
      0.1869000              0.0270590
In    P
     14.4691000             -0.0190230
      9.2808300              0.0591570
      2.0820100             -0.1807490
      0.8443140             -0.1145820
      0.1869000              0.4407390
In    P
      0.0547770              1.0000000
In    P
      0.0141000              1.0000000
In    D
     30.7879000              0.0057660
     19.2555000             -0.0107080
      3.1966200              0.2938600
      1.3321000              0.5108690
      0.5046190              0.3415190
In    D
      0.1498000              1.0000000
In    D
      0.0472000              1.0000000
end


ecp "In_aug-cc-pvdz-pp"
In nelec 28
In ul
2       1.0000000              0.0000000
In S
2      15.3928220            281.1223500
2       8.0558640             61.9014700
In P
2      13.9286720             67.4621540
2      13.3472340            134.9492500
2       7.6141320             14.7461400
2       7.3183650             29.6392620
In D
2      14.0347150             35.4932540
2      14.5116160             53.1787730
2       5.5505500              9.1772810
2       5.0594150             12.3924100
In F
2      12.5390560            -13.7280780
2      12.5525610            -18.2068660
end
basis "Sn_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
Sn    S
    380.3660000              0.0011650
     28.5822000             -0.0260060
     17.8892000              0.1660430
      6.9286200             -0.6589140
      1.7839100              0.8693360
      0.8431380              0.4521320
Sn    S
    380.3660000             -0.0004420
     28.5822000              0.0057020
     17.8892000             -0.0528940
      6.9286200              0.2520870
      1.7839100             -0.4703430
      0.8431380             -0.3161440
Sn    S
      0.2052280              1.0000000
Sn    S
      0.0766360              1.0000000
Sn    S
      0.0275000              1.0000000
Sn    P
     18.5489000              0.0370210
      9.5669600             -0.1938660
      2.2186100              0.6575940
      0.9214590              0.4555060
      0.2178580              0.0272160
Sn    P
     18.5489000             -0.0090520
      9.5669600              0.0517620
      2.2186100             -0.2217430
      0.9214590             -0.1242790
      0.2178580              0.5218530
Sn    P
      0.0693200              1.0000000
Sn    P
      0.0209000              1.0000000
Sn    D
     38.5626000              0.0042610
     21.7613000             -0.0068970
      3.6611100              0.2762770
      1.5583300              0.5143230
      0.6095230              0.3445590
Sn    D
      0.1897000              1.0000000
Sn    D
      0.0649000              1.0000000
end


ecp "Sn_aug-cc-pvdz-pp"
Sn nelec 28
Sn ul
2       1.0000000              0.0000000
Sn S
2      17.4204140            279.9886820
2       7.6311550             62.3778100
Sn P
2      16.1310240             66.1625230
2      15.6280770            132.1743960
2       7.3256080             16.3394170
2       6.9425190             32.4889590
Sn D
2      15.5149760             36.3874410
2      15.1881600             54.5078410
2       5.4560240              8.6968230
2       5.3631050             12.8402080
Sn F
2      12.2823480            -12.5763330
2      12.2721500            -16.5959440
end
basis "Sb_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
Sb    S
    371.5840000              0.0015910
     26.5392000             -0.0416840
     16.6213000              0.2733430
      7.7355100             -0.7676850
      1.8923400              0.8994960
      0.9104310              0.4313870
Sb    S
    371.5840000              0.0006540
     26.5392000             -0.0109620
     16.6213000              0.0938330
      7.7355100             -0.3040090
      1.8923400              0.5084090
      0.9104310              0.3392390
Sb    S
      0.2442310              1.0000000
Sb    S
      0.0923970              1.0000000
Sb    S
      0.0327000              1.0000000
Sb    P
     16.0509000              0.0921570
     10.2621000             -0.2755590
      2.4283200              0.6586400
      1.0336000              0.4668920
      0.2594400              0.0285110
Sb    P
     16.0509000             -0.0253130
     10.2621000              0.0797960
      2.4283200             -0.2420940
      1.0336000             -0.1486050
      0.2594400              0.5489440
Sb    P
      0.0861080              1.0000000
Sb    P
      0.0271000              1.0000000
Sb    D
     45.4785000              0.0032590
     18.5114000             -0.0054970
      3.9160000              0.2799530
      1.7148200              0.5127510
      0.6973190              0.3328720
Sb    D
      0.2304000              1.0000000
Sb    D
      0.0802000              1.0000000
end


ecp "Sb_aug-cc-pvdz-pp"
Sb nelec 28
Sb ul
2       1.0000000              0.0000000
Sb S
2      16.3308650            281.0715810
2       8.5565420             61.7166040
Sb P
2      14.4703370             67.4573800
2      13.8161940            134.9335030
2       8.4249240             14.7163440
2       8.0927280             29.5185120
Sb D
2      14.8863310             35.4478150
2      15.1463190             53.1434660
2       5.9082670              9.1792230
2       5.5943220             13.2402530
Sb F
2      14.4449780            -15.3668010
2      14.4492950            -20.2961380
end
basis "Te_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
Te    S
   2111.1900000              0.0006120
    311.6910000              0.0032070
     13.8226000              0.4055120
      8.7174800             -0.9325880
      1.9830300              0.9196570
      0.9703770              0.4046710
Te    S
   2111.1900000              0.0002510
    311.6910000              0.0014570
     13.8226000              0.1637020
      8.7174800             -0.3984550
      1.9830300              0.5780740
      0.9703770              0.3271240
Te    S
      0.2797650              1.0000000
Te    S
      0.1067760              1.0000000
Te    S
      0.0369000              1.0000000
Te    P
     17.0629000              0.0893400
     10.8306000             -0.2711680
      2.5938000              0.6620230
      1.1267600              0.4607440
      0.3001760              0.0288090
Te    P
     17.0629000             -0.0268610
     10.8306000              0.0863040
      2.5938000             -0.2735020
      1.1267600             -0.1513900
      0.3001760              0.5839760
Te    P
      0.0975510              1.0000000
Te    P
      0.0299000              1.0000000
Te    D
     50.9106000              0.0033540
     18.4647000             -0.0036420
      4.2761700              0.2780800
      1.8977000              0.5163480
      0.7864800              0.3265710
Te    D
      0.2638000              1.0000000
Te    D
      0.0988000              1.0000000
end


ecp "Te_aug-cc-pvdz-pp"
Te nelec 28
Te ul
2       1.0000000              0.0000000
Te S
2      16.8144730            281.0458430
2       8.7935260             61.6206560
Te P
2      14.8778010             67.4494640
2      14.2697310            134.9043040
2       8.7244350             14.6895470
2       8.2915150             29.4150630
Te D
2      15.2050080             35.4320570
2      15.2258480             53.1356870
2       6.0717690              9.0698020
2       5.8047600             13.1223040
Te F
2      15.2061680            -15.7454500
2      15.2017020            -20.7424480
end
basis "I_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
I    S
      2.449790E+03           4.190000E-04
      3.598080E+02           2.240000E-03
      1.440580E+01           3.972230E-01
      9.076320E+00          -9.322490E-01
      2.088100E+00           9.371380E-01
      1.034980E+00           3.920860E-01
I    S
      2.449790E+03           1.750000E-04
      3.598080E+02           1.057000E-03
      1.440580E+01           1.690000E-01
      9.076320E+00          -4.217930E-01
      2.088100E+00           6.388640E-01
      1.034980E+00           3.201150E-01
I    S
      3.162840E-01           1.000000E+00
I    S
      1.217190E-01           1.000000E+00
I    S
      4.200000E-02           1.0000000
I    P
      1.953010E+01           5.893400E-02
      1.108820E+01          -2.309300E-01
      2.715630E+00           6.648010E-01
      1.204300E+00           4.506730E-01
      3.399450E-01           2.898000E-02
I    P
      1.953010E+01          -1.883600E-02
      1.108820E+01           8.000600E-02
      2.715630E+00          -3.066520E-01
      1.204300E+00          -1.475940E-01
      3.399450E-01           6.075060E-01
I    P
      1.108810E-01           1.000000E+00
I    P
      3.380000E-02           1.0000000
I    D
      4.547650E+01           4.266000E-03
      1.319280E+01          -1.362500E-02
      4.227410E+00           3.097560E-01
      1.942800E+00           5.097720E-01
      8.397710E-01           2.974610E-01
I    D
      3.000000E-01           1.000000E+00
I    D
      1.191000E-01           1.0000000
end


ecp "I_aug-cc-pvdz-pp"
I nelec 28
I ul
2       1.00000000             0.00000000
I S
2      40.03337600            49.98964900
2      17.30057600           281.00655600
2       8.85172000            61.41673900
I P
2      15.72014100            67.41623900
2      15.20822200           134.80769600
2       8.29418600            14.56654800
2       7.75394900            28.96842200
I D
2      13.81775100            35.53875600
2      13.58780500            53.33975900
2       6.94763000             9.71646600
2       6.96009900            14.97750000
I F
2      18.52295000           -20.17661800
2      18.25103500           -26.08807700
2       7.55790100            -0.22043400
2       7.59740400            -0.22164600
end
basis "Xe_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
Xe    S
   2058.3200000              0.0009380
    307.4270000              0.0044200
     15.7815000              0.3543950
      9.5447000             -0.8885140
      2.2296900              0.9496240
      1.1120000              0.3810660
Xe    S
   2058.3200000             -0.0004380
    307.4270000             -0.0022770
     15.7815000             -0.1557960
      9.5447000              0.4175780
      2.2296900             -0.6793250
      1.1120000             -0.3183090
Xe    S
      0.3554300              1.0000000
Xe    S
      0.1377260              1.0000000
Xe    S
      0.0473000              1.0000000
Xe    P
     20.1725000              0.0687400
     11.8122000             -0.2446140
      2.9346000              0.6676480
      1.3189000              0.4501800
      0.3858160              0.0286890
Xe    P
     20.1725000             -0.0229670
     11.8122000              0.0881150
      2.9346000             -0.3233110
      1.3189000             -0.1542280
      0.3858160              0.6228820
Xe    P
      0.1269610              1.0000000
Xe    P
      0.0379000              1.0000000
Xe    D
     52.6666000              0.0048070
     14.3464000             -0.0045170
      4.8159700              0.3015100
      2.2149600              0.5120370
      0.9611280              0.2990900
Xe    D
      0.3412000              1.0000000
Xe    D
      0.1404000              1.0000000
end


ecp "Xe_aug-cc-pvdz-pp"
Xe nelec 28
Xe ul
2       1.0000000              0.0000000
Xe S
2      40.0051840             49.9979620
2      17.8122140            281.0133030
2       9.3041500             61.5382550
Xe P
2      15.7017720             67.4391420
2      15.2586080            134.8747110
2       9.2921840             14.6633000
2       8.5590030             29.3547300
Xe D
2      15.1856000             35.4369080
2      14.2845000             53.1957720
2       7.1218890              9.0462320
2       6.9919630             13.2236810
2       0.6239460              0.0848530
2       0.6472840              0.0441550
Xe F
2      20.8815570            -23.0892950
2      20.7834430            -30.0744750
2       5.2533890             -0.2882270
2       5.3611880             -0.3869240
end
basis "Hf_aug-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Hf    S
     29.2650000              0.0294330
     18.3491000             -0.1987340
     11.5257000              0.4359330
      4.3859900             -0.7730970
      0.8910800              0.8677580
      0.4057400              0.4202920
      0.0950670              0.0131930
Hf    S
     29.2650000             -0.0090770
     18.3491000              0.0611920
     11.5257000             -0.1354740
      4.3859900              0.2530470
      0.8910800             -0.3699320
      0.4057400             -0.3314430
      0.0950670              0.6577990
Hf    S
     29.2650000              0.0309420
     18.3491000             -0.1631770
     11.5257000              0.3100050
      4.3859900             -0.5289420
      0.8910800              1.2562440
      0.4057400             -0.4970260
      0.0950670             -1.8102840
Hf    S
      0.0358680              1.0000000
Hf    S
      0.0135000              1.0000000
Hf    P
      7.1199600              0.1786130
      4.6018200             -0.5085500
      2.9004600              0.1812060
      0.9377910              0.6364370
      0.3915000              0.4348840
      0.1071520              0.0442170
Hf    P
      7.1199600             -0.0485910
      4.6018200              0.1398590
      2.9004600             -0.0462230
      0.9377910             -0.2282940
      0.3915000             -0.1575630
      0.1071520              0.5288190
Hf    P
      7.1199600             -0.0658780
      4.6018200              0.1871460
      2.9004600             -0.0488380
      0.9377910             -0.3615180
      0.3915000             -0.1743340
      0.1071520              0.9190410
Hf    P
      0.0367710              1.0000000
Hf    P
      0.0126000              1.0000000
Hf    D
      7.4982700              0.0144910
      4.6961800             -0.0529680
      1.0636000              0.2380440
      0.4188210              0.4352750
      0.1545660              0.4244200
Hf    D
      7.4982700             -0.0165460
      4.6961800              0.0618730
      1.0636000             -0.3167410
      0.4188210             -0.5274120
      0.1545660              0.3428660
Hf    D
      0.0526440              1.0000000
Hf    D
      0.0179000              1.0000000
Hf    F
      0.2700000              1.0000000
Hf    F
      0.0824000              1.0000000
end


ecp "Hf_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Ta    S
     29.8670000              0.0287250
     18.7203000             -0.1985810
     11.7533000              0.4482880
      4.5708900             -0.7983960
      0.9478400              0.8861040
      0.4340380              0.4136940
      0.1050310              0.0121460
Ta    S
     29.8670000             -0.0091320
     18.7203000              0.0630170
     11.7533000             -0.1437480
      4.5708900              0.2705360
      0.9478400             -0.4015970
      0.4340380             -0.3195670
      0.1050310              0.6651050
Ta    S
     29.8670000              0.0324720
     18.7203000             -0.1723550
     11.7533000              0.3341840
      4.5708900             -0.5725580
      0.9478400              1.3652610
      0.4340380             -0.6032250
      0.1050310             -1.7315730
Ta    S
      0.0389480              1.0000000
Ta    S
      0.0144000              1.0000000
Ta    P
      7.3652400              0.1796820
      4.7544000             -0.5211000
      2.9959500              0.1911040
      0.9941230              0.6464550
      0.4196000              0.4240400
      0.1182390              0.0425600
Ta    P
      7.3652400             -0.0508780
      4.7544000              0.1495500
      2.9959500             -0.0507540
      0.9941230             -0.2483790
      0.4196000             -0.1478010
      0.1182390              0.5415390
Ta    P
      7.3652400             -0.0697670
      4.7544000              0.2016550
      2.9959500             -0.0482900
      0.9941230             -0.4247200
      0.4196000             -0.1275720
      0.1182390              0.9415430
Ta    P
      0.0401010              1.0000000
Ta    P
      0.0136000              1.0000000
Ta    D
      7.5616000              0.0178690
      4.7408700             -0.0661360
      1.1697500              0.2554580
      0.4793100              0.4454920
      0.1837040              0.4029670
Ta    D
      7.5616000             -0.0205840
      4.7408700              0.0780240
      1.1697500             -0.3544000
      0.4793100             -0.5155940
      0.1837040              0.4207610
Ta    D
      0.0644090              1.0000000
Ta    D
      0.0226000              1.0000000
Ta    F
      0.3735000              1.0000000
Ta    F
      0.1286000              1.0000000
end


ecp "Ta_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
W    S
     31.1844000              0.0268990
     19.5385000             -0.1892380
     12.2602000              0.4339650
      4.7203700             -0.8043720
      1.0095700              0.9015400
      0.4634560              0.4101950
      0.1137920              0.0110440
W    S
     31.1844000             -0.0086330
     19.5385000              0.0609770
     12.2602000             -0.1418640
      4.7203700              0.2797320
      1.0095700             -0.4285050
      0.4634560             -0.3050150
      0.1137920              0.6713040
W    S
     31.1844000              0.0314780
     19.5385000             -0.1676990
     12.2602000              0.3282920
      4.7203700             -0.5865250
      1.0095700              1.4154490
      0.4634560             -0.6488270
      0.1137920             -1.6892530
W    S
      0.0416420              1.0000000
W    S
      0.0152000              1.0000000
W    P
      7.7873800              0.1852090
      5.0493000             -0.5283120
      3.1860200              0.1871580
      1.0593700              0.6560130
      0.4491060              0.4179250
      0.1276250              0.0409650
W    P
      7.7873800             -0.0535080
      5.0493000              0.1546790
      3.1860200             -0.0504270
      1.0593700             -0.2604500
      0.4491060             -0.1384050
      0.1276250              0.5459010
W    P
      7.7873800             -0.0749390
      5.0493000              0.2120220
      3.1860200             -0.0424460
      1.0593700             -0.4793750
      0.4491060             -0.0766750
      0.1276250              0.9477960
W    P
      0.0427440              1.0000000
W    P
      0.0143000              1.0000000
W    D
      8.3098300              0.0219490
      5.2246300             -0.0773760
      1.2952900              0.2632410
      0.5397610              0.4595460
      0.2089270              0.3922120
W    D
      8.3098300             -0.0263810
      5.2246300              0.0952520
      1.2952900             -0.3960520
      0.5397610             -0.5079960
      0.2089270              0.5236000
W    D
      0.0731130              1.0000000
W    D
      0.0256000              1.0000000
W    F
      0.4769000              1.0000000
W    F
      0.1768000              1.0000000
end


ecp "W_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Re    S
     33.0133000              0.0221330
     20.6658000             -0.1618310
     12.9498000              0.3812300
      4.7782300             -0.7875220
      1.0858000              0.8980810
      0.5000250              0.4224690
      0.1210690              0.0172060
Re    S
     33.0133000             -0.0070680
     20.6658000              0.0530520
     12.9498000             -0.1282310
      4.7782300              0.2853960
      1.0858000             -0.4487810
      0.5000250             -0.2976680
      0.1210690              0.6634730
Re    S
     33.0133000              0.0274240
     20.6658000             -0.1468310
     12.9498000              0.2908580
      4.7782300             -0.5801000
      1.0858000              1.4204980
      0.5000250             -0.6321790
      0.1210690             -1.6875030
Re    S
      0.0438810              1.0000000
Re    S
      0.0159000              1.0000000
Re    P
      8.6759800              0.1394900
      5.6538200             -0.3569770
      1.4063900              0.4818040
      0.6920560              0.5117960
      0.3163520              0.1708180
      0.1093090              0.0097820
Re    P
      8.6759800             -0.0412390
      5.6538200              0.1083450
      1.4063900             -0.1688840
      0.6920560             -0.2386860
      0.3163520              0.0632430
      0.1093090              0.6102210
Re    P
      8.6759800             -0.0651350
      5.6538200              0.1725300
      1.4063900             -0.2649320
      0.6920560             -0.4743410
      0.3163520              0.3991830
      0.1093090              0.8030920
Re    P
      0.0385810              1.0000000
Re    P
      0.0136000              1.0000000
Re    D
      8.6719700              0.0171910
      5.4414200             -0.0665390
      1.3750800              0.2711570
      0.5838300              0.4487710
      0.2293620              0.3778590
Re    D
      8.6719700             -0.0203340
      5.4414200              0.0775390
      1.3750800             -0.3686920
      0.5838300             -0.4745880
      0.2293620              0.4599950
Re    D
      0.0808850              1.0000000
Re    D
      0.0285000              1.0000000
Re    F
      0.5533000              1.0000000
Re    F
      0.2126000              1.0000000
end


ecp "Re_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Os    S
     34.5933000              0.0194050
     21.6442000             -0.1468750
     13.5521000              0.3551890
      4.8950800             -0.7883690
      1.1634600              0.9033000
      0.5380840              0.4302560
      0.1306730              0.0181640
Os    S
     34.5933000             -0.0059240
     21.6442000              0.0475810
     13.5521000             -0.1198590
      4.8950800              0.2905900
      1.1634600             -0.4633260
      0.5380840             -0.2910580
      0.1306730              0.6489970
Os    S
     34.5933000              0.0286790
     21.6442000             -0.1533520
     13.5521000              0.3066570
      4.8950800             -0.6590400
      1.1634600              1.6880660
      0.5380840             -0.9098660
      0.1306730             -1.5178370
Os    S
      0.0469820              1.0000000
Os    S
      0.0169000              1.0000000
Os    P
      9.1259400              0.1316100
      5.8907300             -0.3487910
      1.4397800              0.5276330
      0.6929760              0.5000040
      0.3084380              0.1387070
      0.1086800              0.0055910
Os    P
      9.1259400             -0.0379630
      5.8907300              0.1036120
      1.4397800             -0.1857190
      0.6929760             -0.2213770
      0.3084380              0.0960590
      0.1086800              0.6029380
Os    P
      9.1259400             -0.0676070
      5.8907300              0.1858450
      1.4397800             -0.3480470
      0.6929760             -0.4511480
      0.3084380              0.5586130
      0.1086800              0.7068530
Os    P
      0.0381830              1.0000000
Os    P
      0.0134000              1.0000000
Os    D
      9.3395000              0.0158420
      5.8557100             -0.0635100
      1.4647600              0.2828700
      0.6312200              0.4507810
      0.2506620              0.3664550
Os    D
      9.3395000             -0.0209240
      5.8557100              0.0807150
      1.4647600             -0.4242800
      0.6312200             -0.4620180
      0.2506620              0.5555660
Os    D
      0.0891640              1.0000000
Os    D
      0.0317000              1.0000000
Os    F
      0.6278000              1.0000000
Os    F
      0.2478000              1.0000000
end


ecp "Os_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Ir    S
     36.0577000              0.0172890
     22.5516000             -0.1359910
     14.1116000              0.3386690
      5.0447500             -0.7941690
      1.2441700              0.9080010
      0.5769240              0.4378070
      0.1394660              0.0187690
Ir    S
     36.0577000             -0.0049480
     22.5516000              0.0431240
     14.1116000             -0.1138030
      5.0447500              0.2953180
      1.2441700             -0.4732180
      0.5769240             -0.2840000
      0.1394660              0.6351880
Ir    S
     36.0577000              0.0290550
     22.5516000             -0.1546790
     14.1116000              0.3116730
      5.0447500             -0.7039290
      1.2441700              1.8161160
      0.5769240             -1.0291110
      0.1394660             -1.4393180
Ir    S
      0.0497400              1.0000000
Ir    S
      0.0177000              1.0000000
Ir    P
      9.5858000              0.1256510
      6.1408800             -0.3433060
      1.4976000              0.5536780
      0.7141440              0.4910420
      0.3120660              0.1228370
      0.1151600              0.0033780
Ir    P
      9.5858000             -0.0379390
      6.1408800              0.1069870
      1.4976000             -0.2083670
      0.7141440             -0.2217720
      0.3120660              0.1266520
      0.1151600              0.6103680
Ir    P
      9.5858000             -0.0740030
      6.1408800              0.2101790
      1.4976000             -0.4612670
      0.7141440             -0.3768670
      0.3120660              0.6521120
      0.1151600              0.6073860
Ir    P
      0.0412770              1.0000000
Ir    P
      0.0148000              1.0000000
Ir    D
      9.9606900              0.0154630
      6.2430300             -0.0631200
      1.5631700              0.2923090
      0.6819400              0.4527480
      0.2734460              0.3571590
Ir    D
      9.9606900             -0.0198010
      6.2430300              0.0777020
      1.5631700             -0.4252400
      0.6819400             -0.4331870
      0.2734460              0.4752470
Ir    D
      0.0980080              1.0000000
Ir    D
      0.0351000              1.0000000
Ir    F
      0.7127000              1.0000000
Ir    F
      0.2898000              1.0000000
end


ecp "Ir_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Pt    S
     37.3750000              0.0156980
     23.3685000             -0.1285150
     14.6164000              0.3299960
      5.2209620             -0.8039770
      1.3267320              0.9127650
      0.6163210              0.4444260
      0.1480680              0.0192250
Pt    S
     37.3750000             -0.0041400
     23.3685000              0.0396870
     14.6164000             -0.1100630
      5.2209620              0.3003960
      1.3267320             -0.4809750
      0.6163210             -0.2769970
      0.1480680              0.6216130
Pt    S
     37.3750000              0.0303040
     23.3685000             -0.1595530
     14.6164000              0.3222870
      5.2209620             -0.7469090
      1.3267320              1.9183060
      0.6163210             -1.1164460
      0.1480680             -1.3836520
Pt    S
      0.0523910              1.0000000
Pt    S
      0.0185000              1.0000000
Pt    P
      9.9926800              0.1240460
      6.3831700             -0.3446320
      1.5696500              0.5711200
      0.7427790              0.4873560
      0.3180200              0.1119590
      0.1141460              0.0019280
Pt    P
      9.9926800             -0.0346870
      6.3831700              0.0999320
      1.5696500             -0.2018840
      0.7427790             -0.1984590
      0.3180200              0.1230340
      0.1141460              0.5955770
Pt    P
      9.9926800             -0.0771530
      6.3831700              0.2234940
      1.5696500             -0.5228040
      0.7427790             -0.3298980
      0.3180200              0.7297730
      0.1141460              0.5372880
Pt    P
      0.0398630              1.0000000
Pt    P
      0.0139000              1.0000000
Pt    D
     10.4126000              0.0150800
      6.5226600             -0.0622950
      1.6643000              0.3006490
      0.7342080              0.4539610
      0.2974070              0.3490010
Pt    D
     10.4126000             -0.0198660
      6.5226600              0.0796630
      1.6643000             -0.4687940
      0.7342080             -0.4051740
      0.2974070              0.5192890
Pt    D
      0.1075990              1.0000000
Pt    D
      0.0389000              1.0000000
Pt    F
      0.8018000              1.0000000
Pt    F
      0.3357000              1.0000000
end


ecp "Pt_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Au    S
     38.0008000              0.0200090
     23.9725000             -0.1516790
     15.2182000              0.3639600
      5.5399900             -0.8213260
      1.3855100              0.9366410
      0.6424610              0.4235270
      0.1564960              0.0162500
Au    S
     38.0008000             -0.0053040
     23.9725000              0.0463180
     15.2182000             -0.1199400
      5.5399900              0.3040620
      1.3855100             -0.4945010
      0.6424610             -0.2555160
      0.1564960              0.6091630
Au    S
     38.0008000              0.0323400
     23.9725000             -0.1717620
     15.2182000              0.3395030
      5.5399900             -0.7461790
      1.3855100              1.9174980
      0.6424610             -1.1299310
      0.1564960             -1.3662840
Au    S
      0.0549100              1.0000000
Au    S
      0.0193000              1.0000000
Au    P
     10.3092000              0.1282170
      6.6276500             -0.3537900
      1.6744700              0.5662110
      0.8011160              0.4931710
      0.3468790              0.1137750
      0.1227010              0.0025340
Au    P
     10.3092000             -0.0358850
      6.6276500              0.1028900
      1.6744700             -0.2009880
      0.8011160             -0.2010450
      0.3468790              0.1165490
      0.1227010              0.5949690
Au    P
     10.3092000             -0.0772420
      6.6276500              0.2226110
      1.6744700             -0.4953530
      0.8011160             -0.3607470
      0.3468790              0.7100000
      0.1227010              0.5688390
Au    P
      0.0424280              1.0000000
Au    P
      0.0147000              1.0000000
Au    D
     11.0027000              0.0164670
      6.8916600             -0.0680130
      1.8080800              0.2994920
      0.8210510              0.4543030
      0.3441610              0.3442240
Au    D
     11.0027000             -0.0236280
      6.8916600              0.0956720
      1.8080800             -0.5412940
      0.8210510             -0.3955330
      0.3441610              0.6191650
Au    D
      0.1297430              1.0000000
Au    D
      0.0489000              1.0000000
Au    F
      0.8919000              1.0000000
Au    F
      0.3789000              1.0000000
end


ecp "Au_aug-cc-pvdz-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-cc-pvdz-pp" 
#basis SET: (23s,20p,12d,2f) -> [5s,5p,4d,2f]
Hg    S
     41.4804000              0.0100720
     22.5328000             -0.1147810
     14.0790000              0.3564080
      5.7247400             -0.8484430
      1.4794800              0.9405960
      0.6882660              0.4353290
      0.1641810              0.0131780
Hg    S
     41.4804000              0.0020320
     22.5328000             -0.0323140
     14.0790000              0.1153500
      5.7247400             -0.3177630
      1.4794800              0.5135230
      0.6882660              0.2500500
      0.1641810             -0.6488410
Hg    S
     41.4804000              0.0218280
     22.5328000             -0.1555640
     14.0790000              0.3860250
      5.7247400             -0.8961040
      1.4794800              2.3321950
      0.6882660             -1.5976600
      0.1641810             -1.0536460
Hg    S
      0.0572230              1.0000000
Hg    S
      0.0199000              1.0000000
Hg    P
     10.5805000              0.1286920
      6.8053900             -0.3608420
      1.7901600              0.5641170
      0.8622610              0.5002740
      0.3752770              0.1137850
      0.1284210              0.0029390
Hg    P
     10.5805000             -0.0344430
      6.8053900              0.1009290
      1.7901600             -0.1924390
      0.8622610             -0.1960690
      0.3752770              0.1042040
      0.1284210              0.5873870
Hg    P
     10.5805000              0.0714680
      6.8053900             -0.2108590
      1.7901600              0.4452040
      0.8622610              0.3916080
      0.3752770             -0.6670830
      0.1284210             -0.6195740
Hg    P
      0.0434470              1.0000000
Hg    P
      0.0147000              1.0000000
Hg    D
     11.5841000              0.0167290
      7.2487900             -0.0695580
      1.9366200              0.3034370
      0.8987480              0.4548780
      0.3869310              0.3368080
Hg    D
     11.5841000             -0.0249840
      7.2487900              0.1041030
      1.9366200             -0.6169860
      0.8987480             -0.3538260
      0.3869310              0.6872800
Hg    D
      0.1504660              1.0000000
Hg    D
      0.0585000              1.0000000
Hg    F
      0.9974000              1.0000000
Hg    F
      0.4377000              1.0000000
end


ecp "Hg_aug-cc-pvdz-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
basis "Tl_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
Tl    S
     36.1096000              0.0229790
     22.5732000             -0.1728970
     14.1144000              0.4807030
      6.1597600             -0.9532140
      1.5706900              0.9608670
      0.7459610              0.4319720
Tl    S
     36.1096000              0.0059010
     22.5732000             -0.0544410
     14.1144000              0.1709120
      6.1597600             -0.3868060
      1.5706900              0.5717530
      0.7459610              0.2895580
Tl    S
      0.1958840              1.0000000
Tl    S
      0.0710030              1.0000000
Tl    S
      0.0206000              1.0000000
Tl    P
     10.3856000              0.1621170
      7.0093900             -0.4046950
      1.7768800              0.6949780
      0.7479420              0.4664960
      0.1768080              0.0280130
Tl    P
     10.3856000             -0.0391990
      7.0093900              0.1017260
      1.7768800             -0.2199420
      0.7479420             -0.1194500
      0.1768080              0.4597680
Tl    P
      0.0515320              1.0000000
Tl    P
      0.0130000              1.0000000
Tl    D
     10.9087000              0.0217120
      6.8364900             -0.0832690
      1.9974900              0.3418070
      0.9144720              0.4833160
      0.3895180              0.3047550
Tl    D
      0.1501000              1.0000000
Tl    D
      0.0437000              1.0000000
end


ecp "Tl_aug-cc-pvdz-pp"
Tl nelec 60
Tl ul
2       1.0000000              0.0000000
Tl S
2      12.1678050            281.2846630
2       8.2949090             62.4342510
Tl P
2       7.1514920              4.6334080
2       5.1728650              9.3417560
2       9.8910720             72.2992530
2       9.0033910            144.5580370
Tl D
2       7.1302180             35.9430390
2       6.9269060             53.9095930
2       5.4175700             10.3819390
2       5.1386810             15.5838220
Tl F
2       5.6263990             15.8254880
2       5.5489520             21.1040210
2       2.8749460              2.9151270
2       2.8214510              3.8969030
Tl G
2       6.6790570             -7.4945340
2       6.7068350             -9.5405750
2       7.2092840             -7.7979920
2       7.0709640             -9.2595240
end
basis "Pb_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
Pb    S
     37.4583000              0.0248240
     23.3170000             -0.1810620
     14.5759000              0.5007060
      6.4337600             -0.9797370
      1.6671900              0.9666300
      0.8077320              0.4364870
Pb    S
     37.4583000              0.0067850
     23.3170000             -0.0601870
     14.5759000              0.1889710
      6.4337600             -0.4248380
      1.6671900              0.6220350
      0.8077320              0.3160880
Pb    S
      0.2270840              1.0000000
Pb    S
      0.0842520              1.0000000
Pb    S
      0.0278000              1.0000000
Pb    P
     10.6186000              0.1701740
      7.1878100             -0.4241790
      1.8943900              0.6934430
      0.8167090              0.4737730
      0.2036880              0.0290470
Pb    P
     10.6186000             -0.0479540
      7.1878100              0.1245560
      1.8943900             -0.2597760
      0.8167090             -0.1414800
      0.2036880              0.5317690
Pb    P
      0.0649730              1.0000000
Pb    P
      0.0197000              1.0000000
Pb    D
     13.7266000              0.0107870
      6.9898300             -0.0666500
      2.1735200              0.3342590
      1.0281200              0.4826840
      0.4558570              0.3004140
Pb    D
      0.1822000              1.0000000
Pb    D
      0.0609000              1.0000000
end


ecp "Pb_aug-cc-pvdz-pp"
Pb nelec 60
Pb ul
2       1.0000000              0.0000000
Pb S
2      12.2963030            281.2854990
2       8.6326340             62.5202170
Pb P
2      10.2417900             72.2768970
2       8.9241760            144.5910830
2       6.5813420              4.7586930
2       6.2554030              9.9406210
Pb D
2       7.7543360             35.8485070
2       7.7202810             53.7243420
2       4.9702640             10.1152560
2       4.5637890             14.8337310
Pb F
2       3.8875120             12.2098920
2       3.8119630             16.1902910
Pb G
2       5.6915770             -9.0966650
2       5.7155670            -11.5319960
end
basis "Bi_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
Bi    S
    211.8210000              0.0010880
     21.3262000             -0.1058620
     13.3654000              0.5308080
      6.9461000             -1.0502650
      1.7122900              0.9958560
      0.8391070              0.3989520
Bi    S
    211.8210000              0.0004220
     21.3262000             -0.0385370
     13.3654000              0.2172380
      6.9461000             -0.4810970
      1.7122900              0.7015950
      0.8391070              0.2905200
Bi    S
      0.2553640              1.0000000
Bi    S
      0.0967000              1.0000000
Bi    S
      0.0317000              1.0000000
Bi    P
     11.0644000              0.1672490
      7.4500000             -0.4252620
      2.0106900              0.6925250
      0.8883210              0.4753740
      0.2363690              0.0298590
Bi    P
     11.0644000             -0.0522010
      7.4500000              0.1390830
      2.0106900             -0.2935560
      0.8883210             -0.1585740
      0.2363690              0.5743620
Bi    P
      0.0792900              1.0000000
Bi    P
      0.0254000              1.0000000
Bi    D
     16.2461000              0.0078080
      6.9836300             -0.0668310
      2.3747600              0.3241400
      1.1537200              0.4858310
      0.5259740              0.3010560
Bi    D
      0.2151000              1.0000000
Bi    D
      0.0745000              1.0000000
end


ecp "Bi_aug-cc-pvdz-pp"
Bi nelec 60
Bi ul
2       1.0000000              0.0000000
Bi S
2      13.0430900            283.2642270
2       8.2216820             62.4719590
Bi P
2      10.4677770             72.0014990
2       9.1189010            144.0022770
2       6.7547910              5.0079450
2       6.2525920              9.9915500
Bi D
2       8.0814740             36.3962590
2       7.8905950             54.5976640
2       4.9555560              9.9842940
2       4.7045590             14.9814850
Bi F
2       4.2145460             13.7133830
2       4.1334000             18.1943080
Bi G
2       6.2057090            -10.2474430
2       6.2277820            -12.9557100
end
basis "Po_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
Po    S
    295.3900000              0.0013830
     21.2683000             -0.1050610
     13.3379000              0.5914250
      7.3652100             -1.1156970
      1.7892000              1.0191620
      0.8849940              0.3798790
Po    S
    295.3900000              0.0006830
     21.2683000             -0.0385730
     13.3379000              0.2519580
      7.3652100             -0.5330160
      1.7892000              0.7669010
      0.8849940              0.2818780
Po    S
      0.2857870              1.0000000
Po    S
      0.1093240              1.0000000
Po    S
      0.0359000              1.0000000
Po    P
     11.5069000              0.1663640
      7.7299100             -0.4272350
      2.1189400              0.6969640
      0.9553230              0.4713590
      0.2683520              0.0299870
Po    P
     11.5069000             -0.0559100
      7.7299100              0.1511230
      2.1189400             -0.3261600
      0.9553230             -0.1614090
      0.2683520              0.6016150
Po    P
      0.0884940              1.0000000
Po    P
      0.0278000              1.0000000
Po    D
     18.7130000              0.0066940
      7.0570800             -0.0671040
      2.5506200              0.3257980
      1.2506900              0.4957630
      0.5742560              0.2931060
Po    D
      0.2330000              1.0000000
Po    D
      0.0895000              1.0000000
end


ecp "Po_aug-cc-pvdz-pp"
Po nelec 60
Po ul
2       1.0000000              0.0000000
Po S
2      13.2772270            283.2447060
2       8.3995180             62.3964610
Po P
2      10.6656820             71.9917160
2       9.2837530            143.9718710
2       6.8727490              4.9496150
2       6.3261500              9.7404990
Po D
2       8.2148660             36.3783830
2       8.0086960             54.5627150
2       5.0552270              9.8894990
2       4.7825530             14.6938770
Po F
2       5.0132700             17.4282950
2       4.9846400             23.3803530
2       1.3267600              0.1633920
2       1.5287580              0.3245660
Po G
2       6.7715260            -11.5632940
2       6.7779250            -14.5097880
end
basis "At_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
At    S
    304.0310000              0.0010310
     22.4085000             -0.1018690
     14.0490000              0.5632730
      7.5895000             -1.1045120
      1.8949400              1.0263640
      0.9523580              0.3833240
At    S
    304.0310000              0.0004960
     22.4085000             -0.0387430
     14.0490000              0.2490070
      7.5895000             -0.5516910
      1.8949400              0.8155580
      0.9523580              0.2868020
At    S
      0.3170410              1.0000000
At    S
      0.1224900              1.0000000
At    S
      0.0404000              1.0000000
At    P
     12.0093000              0.1631810
      8.0330000             -0.4244130
      2.2239300              0.7031340
      1.0213300              0.4641680
      0.3012660              0.0302600
At    P
     12.0093000             -0.0583630
      8.0330000              0.1606310
      2.2239300             -0.3589420
      1.0213300             -0.1621230
      0.3012660              0.6248880
At    P
      0.0999030              1.0000000
At    P
      0.0313000              1.0000000
At    D
     21.3084000              0.0061410
      7.0207600             -0.0706690
      2.7689800              0.3190200
      1.3731400              0.5044700
      0.6368040              0.2924810
At    D
      0.2593000              1.0000000
At    D
      0.1073000              1.0000000
end


ecp "At_aug-cc-pvdz-pp"
At nelec 60
At ul
2       1.0000000              0.0000000
At S
2      30.2008320             49.9571580
2      13.6123060            283.2103710
2       8.5293400             62.2810520
At P
2      10.8540650             71.9823710
2       9.4682290            143.9035320
2       7.0311140              4.8717590
2       6.1438580              8.9830590
At D
2       8.3135150             36.3632370
2       7.9989650             54.5489700
2       5.1799660              9.7762850
2       4.9422260             14.2647550
At F
2       5.8121630             19.8701980
2       5.7537150             26.4164520
2       2.5134720              0.9949700
2       2.5362610              1.4907010
At G
2       9.8957780            -22.2232030
2       9.7373340            -26.7154760
2       3.0133310             -0.3730440
2       3.0977630             -0.4859460
end
basis "Rn_aug-cc-pvdz-pp" 
#basis SET: (15s,12p,7d) -> [5s,4p,3d]
Rn    S
    383.5850000              0.0015720
     23.2936000             -0.0761810
     14.6096000              0.4785080
      7.7319900             -1.0439020
      1.9942400              1.0190710
      1.0240700              0.3914520
Rn    S
    383.5850000              0.0009020
     23.2936000             -0.0265350
     14.6096000              0.2148510
      7.7319900             -0.5453780
      1.9942400              0.8694020
      1.0240700              0.2728620
Rn    S
      0.3454220              1.0000000
Rn    S
      0.1350810              1.0000000
Rn    S
      0.0449000              1.0000000
Rn    P
     12.4992000              0.1629940
      8.3397600             -0.4262290
      2.3359100              0.7107760
      1.0901900              0.4580860
      0.3348980              0.0292130
Rn    P
     12.4992000             -0.0609340
      8.3397600              0.1694830
      2.3359100             -0.3880550
      1.0901900             -0.1612760
      0.3348980              0.6446740
Rn    P
      0.1125460              1.0000000
Rn    P
      0.0348000              1.0000000
Rn    D
     24.1705000              0.0058780
      6.9459900             -0.0765200
      3.0380900              0.3071660
      1.5168400              0.5141680
      0.7091570              0.2972850
Rn    D
      0.2888000              1.0000000
Rn    D
      0.1251000              1.0000000
end


ecp "Rn_aug-cc-pvdz-pp"
Rn nelec 60
Rn ul
2       1.0000000              0.0000000
Rn S
2      30.1512420             49.9655510
2      14.5212410            283.0700000
2       8.0520380             62.0028700
Rn P
2      11.0099420             71.9691190
2       9.6176250            143.8605590
2       7.3360080              4.7147610
2       6.4062530              9.0130650
Rn D
2       8.3692200             36.3683650
2       8.1169750             54.5517610
2       5.3536560              9.6344870
2       5.0972120             14.3879020
Rn F
2       6.3485710             21.7972900
2       6.2959490             28.9468050
2       2.8821180              1.4473650
2       2.9080480              2.1779640
Rn G
2      11.0152050            -25.2280950
2      10.9098530            -30.5661210
2       3.4827610             -0.5748000
2       3.6004180             -0.7795380
end
