# BSE Version v0.9
# Data downloaded on 2022-02-15T18:31
# aug-cc-pVQZ-DK3 version number 1
# Description: aug-cc-pVQZ-DK3
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  In-Xe,Tl-Rn
#      aug-cc-pVQZ-DK3
#          (...no reference...)
# 
#  Cs,Ba,Fr,Ra
#      aug-cc-pVQZ-DK3
#          hill2017a
# 
# 
# 
# hill2017a
#     Hill, J. Grant, Peterson,Kirk A.
#     Gaussian basis sets for use in correlated molecular calculations. XI.
#             Pseudopotential-based and all-electron relativistic basis sets
#             for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements
#     J. Chem. Phys. 147, 244106 (2018)
#     10.1063/1.5010587
# 
# # 
basis "In_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (139s,84p,32d,3f,2g) -> [9s,8p,6d,3f,2g]
In    S
      4.165467E+08           3.7402700E-05
      6.354436E+07           1.0073500E-04
      1.389632E+07           2.5435600E-04
      3.991137E+06           5.1270200E-04
      1.399787E+06           9.4822200E-04
      5.650349E+05           1.6335200E-03
      2.504687E+05           2.7843800E-03
      1.176263E+05           4.7513100E-03
      5.701405E+04           8.3343500E-03
      2.802443E+04           1.5053400E-02
      1.382524E+04           2.8139300E-02
      6.815513E+03           5.3786600E-02
      3.358783E+03           1.0237400E-01
      1.661129E+03           1.8260100E-01
      8.294857E+02           2.7476800E-01
      4.211772E+02           2.9268100E-01
      2.189325E+02           1.7055600E-01
      1.171145E+02           3.7295000E-02
      6.462679E+01           2.5684700E-03
      3.672783E+01          -2.5760000E-04
      2.134646E+01           3.4900300E-04
      1.251734E+01          -3.3986900E-04
      7.248636E+00           1.6761900E-04
      4.020762E+00          -9.4155500E-05
      2.050784E+00           4.9957500E-05
      1.050881E+00          -2.3360400E-05
      5.270869E-01           1.0894100E-05
In    S
      4.165467E+08          -1.2780600E-05
      6.354436E+07          -3.4421700E-05
      1.389632E+07          -8.6950700E-05
      3.991137E+06          -1.7541400E-04
      1.399787E+06          -3.2488200E-04
      5.650349E+05          -5.6082400E-04
      2.504687E+05          -9.5887400E-04
      1.176263E+05          -1.6430200E-03
      5.701405E+04          -2.9007000E-03
      2.802443E+04          -5.2876300E-03
      1.382524E+04          -1.0035700E-02
      6.815513E+03          -1.9655400E-02
      3.358783E+03          -3.9065200E-02
      1.661129E+03          -7.5292500E-02
      8.294857E+02          -1.3074700E-01
      4.211772E+02          -1.7586400E-01
      2.189325E+02          -1.1836700E-01
      1.171145E+02           1.3255500E-01
      6.462679E+01           4.3687600E-01
      3.672783E+01           4.1991100E-01
      2.134646E+01           1.6732300E-01
      1.251734E+01           2.4525300E-02
      7.248636E+00           1.7768600E-03
      4.020762E+00           4.1753100E-05
      2.050784E+00          -1.5222500E-04
      1.050881E+00          -3.9543700E-05
      5.270869E-01          -8.1564200E-06
In    S
      4.165467E+08           5.6181600E-06
      6.354436E+07           1.5131400E-05
      1.389632E+07           3.8224500E-05
      3.991137E+06           7.7124200E-05
      1.399787E+06           1.4286600E-04
      5.650349E+05           2.4670600E-04
      2.504687E+05           4.2195100E-04
      1.176263E+05           7.2356100E-04
      5.701405E+04           1.2782700E-03
      2.802443E+04           2.3340800E-03
      1.382524E+04           4.4377000E-03
      6.815513E+03           8.7270800E-03
      3.358783E+03           1.7445400E-02
      1.661129E+03           3.4041800E-02
      8.294857E+02           6.0393600E-02
      4.211772E+02           8.4611300E-02
      2.189325E+02           5.9530900E-02
      1.171145E+02          -8.3314500E-02
      6.462679E+01          -3.4298200E-01
      3.672783E+01          -4.3637800E-01
      2.134646E+01          -1.3581700E-01
      1.251734E+01           4.3578900E-01
      7.248636E+00           6.6633600E-01
      4.020762E+00           2.4836700E-01
      2.050784E+00           1.7135000E-02
      1.050881E+00           2.0662600E-03
      5.270869E-01          -2.0598800E-05
In    S
      4.165467E+08          -2.4123600E-06
      6.354436E+07          -6.4971600E-06
      1.389632E+07          -1.6413300E-05
      3.991137E+06          -3.3117000E-05
      1.399787E+06          -6.1350300E-05
      5.650349E+05          -1.0594300E-04
      2.504687E+05          -1.8123000E-04
      1.176263E+05          -3.1076500E-04
      5.701405E+04          -5.4923300E-04
      2.802443E+04          -1.0028500E-03
      1.382524E+04          -1.9082200E-03
      6.815513E+03          -3.7537800E-03
      3.358783E+03          -7.5170200E-03
      1.661129E+03          -1.4694800E-02
      8.294857E+02          -2.6206900E-02
      4.211772E+02          -3.6972800E-02
      2.189325E+02          -2.6378600E-02
      1.171145E+02           3.8559100E-02
      6.462679E+01           1.6604400E-01
      3.672783E+01           2.2488400E-01
      2.134646E+01           7.1723300E-02
      1.251734E+01          -2.9242500E-01
      7.248636E+00          -7.1886900E-01
      4.020762E+00          -2.2328100E-01
      2.050784E+00           6.7711500E-01
      1.050881E+00           6.3652600E-01
      5.270869E-01           1.2885200E-01
In    S
      4.165467E+08           6.7125700E-07
      6.354436E+07           1.8078700E-06
      1.389632E+07           4.5671700E-06
      3.991137E+06           9.2148700E-06
      1.399787E+06           1.7072200E-05
      5.650349E+05           2.9477200E-05
      2.504687E+05           5.0439800E-05
      1.176263E+05           8.6451600E-05
      5.701405E+04           1.5290800E-04
      2.802443E+04           2.7893400E-04
      1.382524E+04           5.3143800E-04
      6.815513E+03           1.0441000E-03
      3.358783E+03           2.0945800E-03
      1.661129E+03           4.0889500E-03
      8.294857E+02           7.3147000E-03
      4.211772E+02           1.0297400E-02
      2.189325E+02           7.4356300E-03
      1.171145E+02          -1.1006900E-02
      6.462679E+01          -4.6868400E-02
      3.672783E+01          -6.5282800E-02
      2.134646E+01          -1.9689900E-02
      1.251734E+01           8.6378600E-02
      7.248636E+00           2.4114400E-01
      4.020762E+00           5.8741600E-02
      2.050784E+00          -2.7798800E-01
      1.050881E+00          -3.7791000E-01
      5.270869E-01          -1.2702700E-01
In    S
      2.198277E-01           1.0000000E+00
In    S
      9.791499E-02           1.0000000E+00
In    S
      4.307257E-02           1.0000000E+00
In    S
      1.619090E-02           1.0000000E+00
In    P
      7.439121E+06           6.7180700E-06
      1.181382E+06           2.2230600E-05
      2.528542E+05           7.3212700E-05
      6.824615E+04           2.2222600E-04
      2.200897E+04           6.7079100E-04
      8.125568E+03           2.0300900E-03
      3.322459E+03           6.1485300E-03
      1.467587E+03           1.8101500E-02
      6.877122E+02           4.9600400E-02
      3.375112E+02           1.1911500E-01
      1.719235E+02           2.3085600E-01
      9.029589E+01           3.2810900E-01
      4.861906E+01           2.8730800E-01
      2.667088E+01           1.2584300E-01
      1.478357E+01           2.2068800E-02
      8.183739E+00           1.2284800E-03
      4.449786E+00           1.6418900E-04
      2.322517E+00          -1.4545000E-04
      1.174257E+00          -6.1601000E-06
      5.665851E-01          -2.1187400E-05
In    P
      7.439121E+06          -3.0792900E-06
      1.181382E+06          -1.0196300E-05
      2.528542E+05          -3.3603600E-05
      6.824615E+04          -1.0219000E-04
      2.200897E+04          -3.0888400E-04
      8.125568E+03          -9.3899800E-04
      3.322459E+03          -2.8554000E-03
      1.467587E+03          -8.5051900E-03
      6.877122E+02          -2.3691700E-02
      3.375112E+02          -5.8882100E-02
      1.719235E+02          -1.1906300E-01
      9.029589E+01          -1.7941200E-01
      4.861906E+01          -1.3616800E-01
      2.667088E+01           9.2735700E-02
      1.478357E+01           3.9186600E-01
      8.183739E+00           4.5234600E-01
      4.449786E+00           1.8252200E-01
      2.322517E+00           2.0717200E-02
      1.174257E+00           1.3230200E-03
      5.665851E-01           2.2167700E-04
In    P
      7.439121E+06          -2.5107600E-07
      1.181382E+06          -8.3131600E-07
      2.528542E+05          -2.7415200E-06
      6.824615E+04          -8.3312700E-06
      2.200897E+04          -2.5240100E-05
      8.125568E+03          -7.6564500E-05
      3.322459E+03          -2.3399900E-04
      1.467587E+03          -6.9522000E-04
      6.877122E+02          -1.9546900E-03
      3.375112E+02          -4.8622900E-03
      1.719235E+02          -1.0008000E-02
      9.029589E+01          -1.5126100E-02
      4.861906E+01          -1.1231100E-02
      2.667088E+01           1.3137100E-02
      1.478357E+01           4.6917900E-02
      8.183739E+00           6.7920500E-02
      4.449786E+00          -1.6628500E-02
      2.322517E+00          -1.1754700E-01
      1.174257E+00          -1.4925900E-01
      5.665851E-01          -1.4892200E-02
In    P
      7.439121E+06          -1.2595700E-06
      1.181382E+06          -4.1713100E-06
      2.528542E+05          -1.3748800E-05
      6.824615E+04          -4.1825600E-05
      2.200897E+04          -1.2645600E-04
      8.125568E+03          -3.8473700E-04
      3.322459E+03          -1.1708800E-03
      1.467587E+03          -3.4950400E-03
      6.877122E+02          -9.7670400E-03
      3.375112E+02          -2.4431300E-02
      1.719235E+02          -4.9826200E-02
      9.029589E+01          -7.6082900E-02
      4.861906E+01          -5.5137400E-02
      2.667088E+01           5.9774300E-02
      1.478357E+01           2.2923000E-01
      8.183739E+00           3.0808400E-01
      4.449786E+00          -2.6614800E-02
      2.322517E+00          -4.7793600E-01
      1.174257E+00          -4.9136900E-01
      5.665851E-01          -1.6952200E-01
In    P
      2.015091E-01           1.0000000E+00
In    P
      7.919014E-02           1.0000000E+00
In    P
      3.110912E-02           1.0000000E+00
In    P
      1.002349E-02           1.0000000E+00
In    D
      1.124108E+04           1.9625600E-05
      3.112962E+03           1.4723900E-04
      1.117299E+03           8.8407400E-04
      4.764962E+02           4.0725200E-03
      2.268361E+02           1.5173000E-02
      1.155276E+02           4.5266800E-02
      6.127954E+01           1.1150900E-01
      3.332748E+01           2.1306300E-01
      1.842043E+01           3.0271000E-01
      1.028017E+01           3.0659000E-01
      5.744137E+00           1.8213600E-01
      3.165983E+00           5.2792200E-02
      1.693013E+00           5.7079500E-03
      8.796640E-01           3.3675700E-04
In    D
      1.124108E+04          -6.9722800E-06
      3.112962E+03          -5.2339900E-05
      1.117299E+03          -3.1483100E-04
      4.764962E+02          -1.4544300E-03
      2.268361E+02          -5.4459400E-03
      1.155276E+02          -1.6365700E-02
      6.127954E+01          -4.0878100E-02
      3.332748E+01          -7.8321100E-02
      1.842043E+01          -1.0775100E-01
      1.028017E+01          -9.6333200E-02
      5.744137E+00           2.3167900E-02
      3.165983E+00           2.2140800E-01
      1.693013E+00           3.5261000E-01
      8.796640E-01           3.3637000E-01
In    D
      4.424068E-01           1.0000000E+00
In    D
      2.098288E-01           1.0000000E+00
In    D
      7.944378E-02           1.0000000E+00
In    D
      2.702104E-02           1.0000000E+00
In    F
      3.976131E-01           1.0000000E+00
In    F
      1.585604E-01           1.0000000E+00
In    F
      5.932725E-02           1.0000000E+00
In    G
      3.405219E-01           1.0000000E+00
In    G
      1.446660E-01           1.0000000E+00
end
basis "Sn_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (139s,84p,32d,3f,2g) -> [9s,8p,6d,3f,2g]
Sn    S
      4.692269E+08           3.6809000E-05
      7.218422E+07           9.8264900E-05
      1.580533E+07           2.4868600E-04
      4.517315E+06           5.0434400E-04
      1.568784E+06           9.4197100E-04
      6.246797E+05           1.6431900E-03
      2.724724E+05           2.8362100E-03
      1.257508E+05           4.9000800E-03
      5.989707E+04           8.6828100E-03
      2.896414E+04           1.5810900E-02
      1.408765E+04           2.9698900E-02
      6.868293E+03           5.6820800E-02
      3.360376E+03           1.0758600E-01
      1.657206E+03           1.8925700E-01
      8.290857E+02           2.7767300E-01
      4.237830E+02           2.8543600E-01
      2.227598E+02           1.6060300E-01
      1.209725E+02           3.4964000E-02
      6.797038E+01           2.4927600E-03
      3.939297E+01          -1.3851200E-04
      2.334334E+01           2.3892800E-04
      1.392086E+01          -2.4258100E-04
      8.154829E+00           9.6297300E-05
      4.536367E+00          -5.5730400E-05
      2.291372E+00           3.0082400E-05
      1.172525E+00          -1.2866700E-05
      5.763808E-01           6.7199000E-06
Sn    S
      4.692269E+08          -1.2627300E-05
      7.218422E+07          -3.3708600E-05
      1.580533E+07          -8.5340800E-05
      4.517315E+06          -1.7321500E-04
      1.568784E+06          -3.2396500E-04
      6.246797E+05          -5.6628400E-04
      2.724724E+05          -9.8042900E-04
      1.257508E+05          -1.7011100E-03
      5.989707E+04          -3.0342300E-03
      2.896414E+04          -5.5785800E-03
      1.408765E+04          -1.0645300E-02
      6.868293E+03          -2.0893900E-02
      3.360376E+03          -4.1388100E-02
      1.657206E+03          -7.8936300E-02
      8.290857E+02          -1.3424300E-01
      4.237830E+02          -1.7437400E-01
      2.227598E+02          -1.0913600E-01
      1.209725E+02           1.3656100E-01
      6.797038E+01           4.2136200E-01
      3.939297E+01           4.1193900E-01
      2.334334E+01           1.7973600E-01
      1.392086E+01           3.0900000E-02
      8.154829E+00           2.3722200E-03
      4.536367E+00           8.0744600E-05
      2.291372E+00          -1.5884000E-04
      1.172525E+00          -4.9428700E-05
      5.763808E-01          -5.8672500E-06
Sn    S
      4.692269E+08           5.5768700E-06
      7.218422E+07           1.4887500E-05
      1.580533E+07           3.7692900E-05
      4.517315E+06           7.6514000E-05
      1.568784E+06           1.4313200E-04
      6.246797E+05           2.5026800E-04
      2.724724E+05           4.3348200E-04
      1.257508E+05           7.5261000E-04
      5.989707E+04           1.3436100E-03
      2.896414E+04           2.4739500E-03
      1.408765E+04           4.7312000E-03
      6.868293E+03           9.3224000E-03
      3.360376E+03           1.8587300E-02
      1.657206E+03           3.5895500E-02
      8.290857E+02           6.2461300E-02
      4.237830E+02           8.4495300E-02
      2.227598E+02           5.5222900E-02
      1.209725E+02          -8.6978400E-02
      6.797038E+01          -3.3209200E-01
      3.939297E+01          -4.2678300E-01
      2.334334E+01          -1.6565500E-01
      1.392086E+01           3.7072700E-01
      8.154829E+00           6.8401100E-01
      4.536367E+00           2.9956500E-01
      2.291372E+00           2.3583200E-02
      1.172525E+00           2.1245600E-03
      5.763808E-01          -7.7275300E-05
Sn    S
      4.692269E+08          -2.4262500E-06
      7.218422E+07          -6.4768400E-06
      1.580533E+07          -1.6398800E-05
      4.517315E+06          -3.3288500E-05
      1.568784E+06          -6.2276400E-05
      6.246797E+05          -1.0889000E-04
      2.724724E+05          -1.8864600E-04
      1.257508E+05          -3.2749800E-04
      5.989707E+04          -5.8497000E-04
      2.896414E+04          -1.0769300E-03
      1.408765E+04          -2.0616000E-03
      6.868293E+03          -4.0627300E-03
      3.360376E+03          -8.1175100E-03
      1.657206E+03          -1.5701900E-02
      8.290857E+02          -2.7486400E-02
      4.237830E+02          -3.7418900E-02
      2.227598E+02          -2.4869500E-02
      1.209725E+02           4.1026000E-02
      6.797038E+01           1.6275400E-01
      3.939297E+01           2.2382100E-01
      2.334334E+01           8.7225200E-02
      1.392086E+01          -2.4163200E-01
      8.154829E+00          -7.2100000E-01
      4.536367E+00          -3.1557100E-01
      2.291372E+00           6.5202300E-01
      1.172525E+00           6.8450200E-01
      5.763808E-01           1.3460100E-01
Sn    S
      4.692269E+08           7.2818200E-07
      7.218422E+07           1.9438400E-06
      1.580533E+07           4.9217600E-06
      4.517315E+06           9.9904900E-06
      1.568784E+06           1.8692100E-05
      6.246797E+05           3.2677400E-05
      2.724724E+05           5.6632400E-05
      1.257508E+05           9.8261300E-05
      5.989707E+04           1.7567100E-04
      2.896414E+04           3.2305100E-04
      1.408765E+04           6.1937000E-04
      6.868293E+03           1.2186800E-03
      3.360376E+03           2.4403300E-03
      1.657206E+03           4.7116000E-03
      8.290857E+02           8.2802200E-03
      4.237830E+02           1.1232100E-02
      2.227598E+02           7.5991700E-03
      1.209725E+02          -1.2716200E-02
      6.797038E+01          -4.9398100E-02
      3.939297E+01          -7.0605300E-02
      2.334334E+01          -2.5314400E-02
      1.392086E+01           7.5032900E-02
      8.154829E+00           2.6226900E-01
      4.536367E+00           9.8435500E-02
      2.291372E+00          -2.8932200E-01
      1.172525E+00          -4.4529500E-01
      5.763808E-01          -1.4391800E-01
Sn    S
      2.618144E-01           1.0000000E+00
Sn    S
      1.184970E-01           1.0000000E+00
Sn    S
      5.316547E-02           1.0000000E+00
Sn    S
      2.179857E-02           1.0000000E+00
Sn    P
      8.028404E+06           6.9342500E-06
      1.254944E+06           2.3185900E-05
      2.671451E+05           7.5824700E-05
      7.212703E+04           2.2771300E-04
      2.332435E+04           6.7807200E-04
      8.636501E+03           2.0249500E-03
      3.537953E+03           6.0697400E-03
      1.563239E+03           1.7778900E-02
      7.316872E+02           4.8737200E-02
      3.583471E+02           1.1756300E-01
      1.821325E+02           2.2921900E-01
      9.551418E+01           3.2760800E-01
      5.142717E+01           2.8886500E-01
      2.826539E+01           1.2823400E-01
      1.572838E+01           2.3126400E-02
      8.752581E+00           1.2815300E-03
      4.783919E+00           1.7719200E-04
      2.503843E+00          -1.6225300E-04
      1.279015E+00          -3.7928800E-07
      6.308701E-01          -2.4846300E-05
Sn    P
      8.028404E+06          -3.1976700E-06
      1.254944E+06          -1.0699100E-05
      2.671451E+05          -3.5015300E-05
      7.212703E+04          -1.0535400E-04
      2.332435E+04          -3.1417300E-04
      8.636501E+03          -9.4240300E-04
      3.537953E+03          -2.8363500E-03
      1.563239E+03          -8.4043800E-03
      7.316872E+02          -2.3417800E-02
      3.583471E+02          -5.8441000E-02
      1.821325E+02          -1.1889100E-01
      9.551418E+01          -1.8013800E-01
      5.142717E+01          -1.3864500E-01
      2.826539E+01           8.8207500E-02
      1.572838E+01           3.8737100E-01
      8.752581E+00           4.5358900E-01
      4.783919E+00           1.8791900E-01
      2.503843E+00           2.2265500E-02
      1.279015E+00           1.2679500E-03
      6.308701E-01           2.4076300E-04
Sn    P
      8.028404E+06          -3.1125000E-07
      1.254944E+06          -1.0414000E-06
      2.671451E+05          -3.4100500E-06
      7.212703E+04          -1.0256000E-05
      2.332435E+04          -3.0639300E-05
      8.636501E+03          -9.1780800E-05
      3.537953E+03          -2.7735500E-04
      1.563239E+03          -8.2075400E-04
      7.316872E+02          -2.3052200E-03
      3.583471E+02          -5.7678500E-03
      1.821325E+02          -1.1922700E-02
      9.551418E+01          -1.8180200E-02
      5.142717E+01          -1.3602200E-02
      2.826539E+01           1.5115900E-02
      1.572838E+01           5.6184700E-02
      8.752581E+00           8.1479900E-02
      4.783919E+00          -1.8047600E-02
      2.503843E+00          -1.4275000E-01
      1.279015E+00          -1.7941000E-01
      6.308701E-01          -1.7422100E-02
Sn    P
      8.028404E+06          -1.3314900E-06
      1.254944E+06          -4.4556300E-06
      2.671451E+05          -1.4583900E-05
      7.212703E+04          -4.3896200E-05
      2.332435E+04          -1.3093600E-04
      8.636501E+03          -3.9308700E-04
      3.537953E+03          -1.1840500E-03
      1.563239E+03          -3.5159100E-03
      7.316872E+02          -9.8285300E-03
      3.583471E+02          -2.4687100E-02
      1.821325E+02          -5.0662400E-02
      9.551418E+01          -7.7794700E-02
      5.142717E+01          -5.7278900E-02
      2.826539E+01           5.8875300E-02
      1.572838E+01           2.3186000E-01
      8.752581E+00           3.1561000E-01
      4.783919E+00          -2.1301700E-02
      2.503843E+00          -4.8183900E-01
      1.279015E+00          -4.9349800E-01
      6.308701E-01          -1.6556400E-01
Sn    P
      2.470553E-01           1.0000000E+00
Sn    P
      1.028288E-01           1.0000000E+00
Sn    P
      4.186408E-02           1.0000000E+00
Sn    P
      1.584478E-02           1.0000000E+00
Sn    D
      1.248022E+04           1.8728100E-05
      3.349125E+03           1.4695400E-04
      1.172286E+03           9.1714700E-04
      4.893161E+02           4.3976900E-03
      2.287069E+02           1.6835200E-02
      1.148396E+02           5.0719100E-02
      6.039649E+01           1.2329300E-01
      3.278748E+01           2.2650700E-01
      1.820630E+01           3.0767100E-01
      1.024834E+01           2.9503500E-01
      5.765704E+00           1.6494300E-01
      3.163024E+00           4.4166000E-02
      1.699094E+00           3.5811500E-03
      9.003582E-01           4.8129100E-04
Sn    D
      1.248022E+04          -6.9486300E-06
      3.349125E+03          -5.4588000E-05
      1.172286E+03          -3.4115000E-04
      4.893161E+02          -1.6416000E-03
      2.287069E+02          -6.3153400E-03
      1.148396E+02          -1.9189700E-02
      6.039649E+01          -4.7314900E-02
      3.278748E+01          -8.6937100E-02
      1.820630E+01          -1.1377200E-01
      1.024834E+01          -9.2390600E-02
      5.765704E+00           4.8139800E-02
      3.163024E+00           2.5440500E-01
      1.699094E+00           3.6507700E-01
      9.003582E-01           3.1510000E-01
Sn    D
      4.673140E-01           1.0000000E+00
Sn    D
      2.285869E-01           1.0000000E+00
Sn    D
      8.657831E-02           1.0000000E+00
Sn    D
      3.112789E-02           1.0000000E+00
Sn    F
      4.335653E-01           1.0000000E+00
Sn    F
      1.781987E-01           1.0000000E+00
Sn    F
      7.343021E-02           1.0000000E+00
Sn    G
      3.766360E-01           1.0000000E+00
Sn    G
      1.720623E-01           1.0000000E+00
end
basis "Sb_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (139s,84p,32d,3f,2g) -> [9s,8p,6d,3f,2g]
Sb    S
      5.008968E+08           3.7985700E-05
      7.522338E+07           1.0343600E-04
      1.636298E+07           2.5928700E-04
      4.711727E+06           5.1647800E-04
      1.666284E+06           9.3943400E-04
      6.807730E+05           1.5865500E-03
      3.060661E+05           2.6497300E-03
      1.458665E+05           4.4264600E-03
      7.170258E+04           7.6072700E-03
      3.568287E+04           1.3463500E-02
      1.777801E+04           2.4699000E-02
      8.823778E+03           4.6537000E-02
      4.362869E+03           8.8267300E-02
      2.156916E+03           1.6033700E-01
      1.072718E+03           2.5452300E-01
      5.406026E+02           3.0160200E-01
      2.780436E+02           2.0932500E-01
      1.467896E+02           5.9684200E-02
      7.979686E+01           4.6815000E-03
      4.463239E+01          -3.2229900E-06
      2.553357E+01           2.4338100E-04
      1.475710E+01          -2.8094900E-04
      8.445178E+00           1.3857900E-04
      4.648741E+00          -8.6605700E-05
      2.366696E+00           4.9767900E-05
      1.210517E+00          -2.4378000E-05
      5.704940E-01           1.4416100E-05
Sb    S
      5.008968E+08          -1.3082300E-05
      7.522338E+07          -3.5621500E-05
      1.636298E+07          -8.9326800E-05
      4.711727E+06          -1.7807600E-04
      1.666284E+06          -3.2434900E-04
      6.807730E+05          -5.4885800E-04
      3.060661E+05          -9.1931400E-04
      1.458665E+05          -1.5418200E-03
      7.170258E+04          -2.6655300E-03
      3.568287E+04          -4.7579800E-03
      1.777801E+04          -8.8482400E-03
      8.823778E+03          -1.7037900E-02
      4.362869E+03          -3.3549900E-02
      2.156916E+03          -6.5139200E-02
      1.072718E+03          -1.1687300E-01
      5.406026E+02          -1.7078600E-01
      2.780436E+02          -1.4764000E-01
      1.467896E+02           6.3323800E-02
      7.979686E+01           3.9676200E-01
      4.463239E+01           4.6259900E-01
      2.553357E+01           2.1102500E-01
      1.475710E+01           3.4973500E-02
      8.445178E+00           1.7405900E-03
      4.648741E+00           2.9920300E-04
      2.366696E+00          -3.0284200E-04
      1.210517E+00           3.2302900E-05
      5.704940E-01          -4.8657800E-05
Sb    S
      5.008968E+08           5.8038800E-06
      7.522338E+07           1.5803300E-05
      1.636298E+07           3.9631000E-05
      4.711727E+06           7.9017200E-05
      1.666284E+06           1.4394300E-04
      6.807730E+05           2.4367800E-04
      3.060661E+05           4.0822300E-04
      1.458665E+05           6.8532400E-04
      7.170258E+04           1.1850900E-03
      3.568287E+04           2.1197600E-03
      1.777801E+04           3.9459900E-03
      8.823778E+03           7.6311400E-03
      4.362869E+03           1.5092200E-02
      2.156916E+03           2.9640100E-02
      1.072718E+03           5.4117300E-02
      5.406026E+02           8.2085400E-02
      2.780436E+02           7.4162800E-02
      1.467896E+02          -4.0545400E-02
      7.979686E+01          -2.9926200E-01
      4.463239E+01          -4.6253400E-01
      2.553357E+01          -2.1530400E-01
      1.475710E+01           3.8845600E-01
      8.445178E+00           7.0213700E-01
      4.648741E+00           2.7722800E-01
      2.366696E+00           2.0027900E-02
      1.210517E+00           2.1536600E-03
      5.704940E-01          -1.9510300E-04
Sb    S
      5.008968E+08          -2.5570900E-06
      7.522338E+07          -6.9626500E-06
      1.636298E+07          -1.7460900E-05
      4.711727E+06          -3.4814700E-05
      1.666284E+06          -6.3423900E-05
      6.807730E+05          -1.0737300E-04
      3.060661E+05          -1.7990000E-04
      1.458665E+05          -3.0202900E-04
      7.170258E+04          -5.2243600E-04
      3.568287E+04          -9.3455700E-04
      1.777801E+04          -1.7408000E-03
      8.823778E+03          -3.3678600E-03
      4.362869E+03          -6.6704500E-03
      2.156916E+03          -1.3122900E-02
      1.072718E+03          -2.4066400E-02
      5.406026E+02          -3.6747700E-02
      2.780436E+02          -3.3611300E-02
      1.467896E+02           1.9298600E-02
      7.979686E+01           1.4743400E-01
      4.463239E+01           2.4315300E-01
      2.553357E+01           1.1833900E-01
      1.475710E+01          -2.6304000E-01
      8.445178E+00          -7.5933900E-01
      4.648741E+00          -2.7491300E-01
      2.366696E+00           7.0186700E-01
      1.210517E+00           6.6758200E-01
      5.704940E-01           1.0589500E-01
Sb    S
      5.008968E+08           8.1176200E-07
      7.522338E+07           2.2103200E-06
      1.636298E+07           5.5431100E-06
      4.711727E+06           1.1052000E-05
      1.666284E+06           2.0135200E-05
      6.807730E+05           3.4084500E-05
      3.060661E+05           5.7120200E-05
      1.458665E+05           9.5865800E-05
      7.170258E+04           1.6591700E-04
      3.568287E+04           2.9660800E-04
      1.777801E+04           5.5299300E-04
      8.823778E+03           1.0690000E-03
      4.362869E+03           2.1198600E-03
      2.156916E+03           4.1674800E-03
      1.072718E+03           7.6585400E-03
      5.406026E+02           1.1688700E-02
      2.780436E+02           1.0756100E-02
      1.467896E+02          -6.2852800E-03
      7.979686E+01          -4.7643800E-02
      4.463239E+01          -8.0120500E-02
      2.553357E+01          -3.8869500E-02
      1.475710E+01           8.9893300E-02
      8.445178E+00           2.9076200E-01
      4.648741E+00           9.0958500E-02
      2.366696E+00          -3.3896900E-01
      1.210517E+00          -4.9014400E-01
      5.704940E-01          -1.2195200E-01
Sb    S
      3.039497E-01           1.0000000E+00
Sb    S
      1.393178E-01           1.0000000E+00
Sb    S
      6.319811E-02           1.0000000E+00
Sb    S
      2.573812E-02           1.0000000E+00
Sb    P
      9.420235E+06           6.7485300E-06
      1.410372E+06           2.3439400E-05
      2.910025E+05           7.7559000E-05
      7.689320E+04           2.3480400E-04
      2.452237E+04           7.0016500E-04
      9.007132E+03           2.0860800E-03
      3.675624E+03           6.2191000E-03
      1.622422E+03           1.8093300E-02
      7.598761E+02           4.9274900E-02
      3.726566E+02           1.1822100E-01
      1.896613E+02           2.2974800E-01
      9.954948E+01           3.2773600E-01
      5.360894E+01           2.8826700E-01
      2.944939E+01           1.2727100E-01
      1.637219E+01           2.2527600E-02
      9.103757E+00           1.1950100E-03
      4.976716E+00           1.4879500E-04
      2.610511E+00          -1.6412700E-04
      1.343267E+00           1.5195900E-06
      6.708941E-01          -2.5269400E-05
Sb    P
      9.420235E+06          -3.1301400E-06
      1.410372E+06          -1.0879000E-05
      2.910025E+05          -3.6025900E-05
      7.689320E+04          -1.0927300E-04
      2.452237E+04          -3.2634700E-04
      9.007132E+03          -9.7672100E-04
      3.675624E+03          -2.9240400E-03
      1.622422E+03          -8.6071300E-03
      7.598761E+02          -2.3828100E-02
      3.726566E+02          -5.9156500E-02
      1.896613E+02          -1.1995000E-01
      9.954948E+01          -1.8136900E-01
      5.360894E+01          -1.3825700E-01
      2.944939E+01           9.2204100E-02
      1.637219E+01           3.9551900E-01
      9.103757E+00           4.5147200E-01
      4.976716E+00           1.8002500E-01
      2.610511E+00           2.0692600E-02
      1.343267E+00           1.1163700E-03
      6.708941E-01           2.3090900E-04
Sb    P
      9.420235E+06          -3.4344200E-07
      1.410372E+06          -1.1937200E-06
      2.910025E+05          -3.9545600E-06
      7.689320E+04          -1.1994200E-05
      2.452237E+04          -3.5865300E-05
      9.007132E+03          -1.0729400E-04
      3.675624E+03          -3.2215000E-04
      1.622422E+03          -9.4843700E-04
      7.598761E+02          -2.6428600E-03
      3.726566E+02          -6.5911900E-03
      1.896613E+02          -1.3553900E-02
      9.954948E+01          -2.0699000E-02
      5.360894E+01          -1.5143800E-02
      2.944939E+01           1.7588300E-02
      1.637219E+01           6.6084900E-02
      9.103757E+00           9.1441600E-02
      4.976716E+00          -2.6247900E-02
      2.610511E+00          -1.6851700E-01
      1.343267E+00          -2.0125300E-01
      6.708941E-01          -4.1560300E-03
Sb    P
      9.420235E+06          -1.3258500E-06
      1.410372E+06          -4.6087100E-06
      2.910025E+05          -1.5263500E-05
      7.689320E+04          -4.6317100E-05
      2.452237E+04          -1.3835200E-04
      9.007132E+03          -4.1449400E-04
      3.675624E+03          -1.2416800E-03
      1.622422E+03          -3.6639400E-03
      7.598761E+02          -1.0174000E-02
      3.726566E+02          -2.5434300E-02
      1.896613E+02          -5.2008900E-02
      9.954948E+01          -7.9764300E-02
      5.360894E+01          -5.7871800E-02
      2.944939E+01           6.2297600E-02
      1.637219E+01           2.4348500E-01
      9.103757E+00           3.2032800E-01
      4.976716E+00          -4.0656000E-02
      2.610511E+00          -5.0040300E-01
      1.343267E+00          -4.8432500E-01
      6.708941E-01          -1.4637200E-01
Sb    P
      2.857567E-01           1.0000000E+00
Sb    P
      1.238459E-01           1.0000000E+00
Sb    P
      5.194964E-02           1.0000000E+00
Sb    P
      1.977260E-02           1.0000000E+00
Sb    D
      1.030422E+04           2.8609700E-05
      2.839912E+03           2.1794500E-04
      1.022855E+03           1.2937800E-03
      4.380632E+02           5.8722700E-03
      2.089749E+02           2.1215400E-02
      1.064573E+02           6.1067000E-02
      5.649063E+01           1.4210700E-01
      3.080626E+01           2.4755100E-01
      1.712734E+01           3.1847000E-01
      9.626763E+00           2.7655700E-01
      5.390451E+00           1.3235800E-01
      2.927130E+00           2.8599300E-02
      1.563359E+00           1.3164000E-03
      8.296634E-01           4.1639900E-04
Sb    D
      1.030422E+04           1.1028100E-05
      2.839912E+03           8.4097300E-05
      1.022855E+03           5.0021500E-04
      4.380632E+02           2.2789400E-03
      2.089749E+02           8.2804200E-03
      1.064573E+02           2.4066500E-02
      5.649063E+01           5.6832200E-02
      3.080626E+01           9.8311100E-02
      1.712734E+01           1.2103900E-01
      9.626763E+00           7.6506500E-02
      5.390451E+00          -1.0158000E-01
      2.927130E+00          -3.0921200E-01
      1.563359E+00          -3.7814900E-01
      8.296634E-01          -2.7115800E-01
Sb    D
      4.367160E-01           1.0000000E+00
Sb    D
      2.247972E-01           1.0000000E+00
Sb    D
      1.008692E-01           1.0000000E+00
Sb    D
      4.045353E-02           1.0000000E+00
Sb    F
      4.834592E-01           1.0000000E+00
Sb    F
      2.043191E-01           1.0000000E+00
Sb    F
      8.269091E-02           1.0000000E+00
Sb    G
      4.233865E-01           1.0000000E+00
Sb    G
      1.840649E-01           1.0000000E+00
end
basis "Te_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (139s,84p,32d,3f,2g) -> [9s,8p,6d,3f,2g]
Te    S
      5.759137E+08           3.6848500E-05
      8.666573E+07           1.0028100E-04
      1.872853E+07           2.5353200E-04
      5.322278E+06           5.1221300E-04
      1.848743E+06           9.4681400E-04
      7.396282E+05           1.6293800E-03
      3.251287E+05           2.7676900E-03
      1.514855E+05           4.6992000E-03
      7.287892E+04           8.1796700E-03
      3.557198E+04           1.4628300E-02
      1.743487E+04           2.7019400E-02
      8.544374E+03           5.1035100E-02
      4.188953E+03           9.6358800E-02
      2.062630E+03           1.7225200E-01
      1.026404E+03           2.6445800E-01
      5.198756E+02           2.9588800E-01
      2.698531E+02           1.8922800E-01
      1.443030E+02           4.8768400E-02
      7.968443E+01           3.7311700E-03
      4.535861E+01          -1.3260600E-04
      2.642573E+01           3.0829500E-04
      1.554077E+01          -3.1802100E-04
      9.027051E+00           1.5452200E-04
      5.021099E+00          -9.0896500E-05
      2.565858E+00           5.0310500E-05
      1.320779E+00          -2.3826400E-05
      5.972022E-01           1.5599600E-05
Te    S
      5.759137E+08          -1.2740900E-05
      8.666573E+07          -3.4670100E-05
      1.872853E+07          -8.7682400E-05
      5.322278E+06          -1.7728200E-04
      1.848743E+06          -3.2814600E-04
      7.396282E+05          -5.6583600E-04
      3.251287E+05          -9.6399800E-04
      1.514855E+05          -1.6434900E-03
      7.287892E+04          -2.8787100E-03
      3.557198E+04          -5.1951000E-03
      1.743487E+04          -9.7368700E-03
      8.544374E+03          -1.8825700E-02
      4.188953E+03          -3.7015200E-02
      2.062630E+03          -7.1097900E-02
      1.026404E+03          -1.2448700E-01
      5.198756E+02          -1.7311400E-01
      2.698531E+02          -1.3260000E-01
      1.443030E+02           9.3742100E-02
      7.968443E+01           4.0682500E-01
      4.535861E+01           4.4059300E-01
      2.642573E+01           1.9960600E-01
      1.554077E+01           3.4333800E-02
      9.027051E+00           2.0833800E-03
      5.021099E+00           1.7469700E-04
      2.565858E+00          -2.4010400E-04
      1.320779E+00          -1.1288800E-05
      5.972022E-01          -2.6632800E-05
Te    S
      5.759137E+08           5.6769700E-06
      8.666573E+07           1.5447900E-05
      1.872853E+07           3.9070000E-05
      5.322278E+06           7.9004600E-05
      1.848743E+06           1.4626000E-04
      7.396282E+05           2.5229100E-04
      3.251287E+05           4.2996000E-04
      1.514855E+05           7.3359600E-04
      7.287892E+04           1.2857800E-03
      3.557198E+04           2.3243600E-03
      1.743487E+04           4.3637100E-03
      8.544374E+03           8.4710300E-03
      4.188953E+03           1.6746400E-02
      2.062630E+03           3.2546200E-02
      1.026404E+03           5.8125100E-02
      5.198756E+02           8.3998000E-02
      2.698531E+02           6.7225200E-02
      1.443030E+02          -6.0166800E-02
      7.968443E+01          -3.1509200E-01
      4.535861E+01          -4.4974400E-01
      2.642573E+01          -1.9922000E-01
      1.554077E+01           3.7803500E-01
      9.027051E+00           6.9471700E-01
      5.021099E+00           2.9248800E-01
      2.565858E+00           2.3288300E-02
      1.320779E+00           2.0272500E-03
      5.972022E-01          -1.8790100E-04
Te    S
      5.759137E+08          -2.5315500E-06
      8.666573E+07          -6.8887000E-06
      1.872853E+07          -1.7422800E-05
      5.322278E+06          -3.5231800E-05
      1.848743E+06          -6.5227700E-05
      7.396282E+05          -1.1251800E-04
      3.251287E+05          -1.9178200E-04
      1.514855E+05          -3.2723300E-04
      7.287892E+04          -5.7372200E-04
      3.557198E+04          -1.0372500E-03
      1.743487E+04          -1.9486200E-03
      8.544374E+03          -3.7844700E-03
      4.188953E+03          -7.4934500E-03
      2.062630E+03          -1.4591300E-02
      1.026404E+03          -2.6186200E-02
      5.198756E+02          -3.8110400E-02
      2.698531E+02          -3.0893800E-02
      1.443030E+02           2.9000800E-02
      7.968443E+01           1.5813500E-01
      4.535861E+01           2.4056800E-01
      2.642573E+01           1.1143500E-01
      1.554077E+01          -2.6082400E-01
      9.027051E+00          -7.5902700E-01
      5.021099E+00          -3.0424700E-01
      2.565858E+00           6.9387800E-01
      1.320779E+00           6.9334200E-01
      5.972022E-01           1.0939300E-01
Te    S
      5.759137E+08           8.4285900E-07
      8.666573E+07           2.2935200E-06
      1.872853E+07           5.8008000E-06
      5.322278E+06           1.1730000E-05
      1.848743E+06           2.1717700E-05
      7.396282E+05           3.7461000E-05
      3.251287E+05           6.3860300E-05
      1.514855E+05           1.0894100E-04
      7.287892E+04           1.9107200E-04
      3.557198E+04           3.4531300E-04
      1.743487E+04           6.4912000E-04
      8.544374E+03           1.2600900E-03
      4.188953E+03           2.4973200E-03
      2.062630E+03           4.8613100E-03
      1.026404E+03           8.7398100E-03
      5.198756E+02           1.2721400E-02
      2.698531E+02           1.0369700E-02
      1.443030E+02          -9.8581700E-03
      7.968443E+01          -5.3750800E-02
      4.535861E+01          -8.3215300E-02
      2.642573E+01          -3.8727500E-02
      1.554077E+01           9.4324000E-02
      9.027051E+00           3.0560300E-01
      5.021099E+00           1.0973600E-01
      2.565858E+00          -3.5584100E-01
      1.320779E+00          -5.4306400E-01
      5.972022E-01          -1.3458300E-01
Te    S
      3.509706E-01           1.0000000E+00
Te    S
      1.617473E-01           1.0000000E+00
Te    S
      7.338029E-02           1.0000000E+00
Te    S
      2.918354E-02           1.0000000E+00
Te    P
      9.522977E+06           7.2501400E-06
      1.441694E+06           2.4896800E-05
      2.982252E+05           8.2359300E-05
      7.853973E+04           2.5006700E-04
      2.487398E+04           7.5071500E-04
      9.057015E+03           2.2564600E-03
      3.662844E+03           6.7927700E-03
      1.603586E+03           1.9896600E-02
      7.460915E+02           5.4255800E-02
      3.642023E+02           1.2881600E-01
      1.848879E+02           2.4443800E-01
      9.698302E+01           3.3360000E-01
      5.226988E+01           2.7326300E-01
      2.875851E+01           1.0967200E-01
      1.600936E+01           1.6976000E-02
      8.901291E+00           8.2038400E-04
      4.852067E+00           5.6298300E-05
      2.526768E+00          -1.3983700E-04
      1.293430E+00          -3.2179700E-06
      6.288114E-01          -1.8332800E-05
Te    P
      9.522977E+06          -3.3817100E-06
      1.441694E+06          -1.1620400E-05
      2.982252E+05          -3.8473800E-05
      7.853973E+04          -1.1703700E-04
      2.487398E+04          -3.5197800E-04
      9.057015E+03          -1.0627000E-03
      3.662844E+03          -3.2143600E-03
      1.603586E+03          -9.5289800E-03
      7.460915E+02          -2.6455100E-02
      3.642023E+02          -6.5081800E-02
      1.848879E+02          -1.2914300E-01
      9.698302E+01          -1.8630300E-01
      5.226988E+01          -1.2137100E-01
      2.875851E+01           1.2971300E-01
      1.600936E+01           4.2633300E-01
      8.901291E+00           4.2791100E-01
      4.852067E+00           1.4645800E-01
      2.526768E+00           1.4211500E-02
      1.293430E+00           7.3284500E-04
      6.288114E-01           1.7589500E-04
Te    P
      9.522977E+06          -4.0433200E-07
      1.441694E+06          -1.3896000E-06
      2.982252E+05          -4.6016700E-06
      7.853973E+04          -1.4004000E-05
      2.487398E+04          -4.2134000E-05
      9.057015E+03          -1.2733200E-04
      3.662844E+03          -3.8560500E-04
      1.603586E+03          -1.1461000E-03
      7.460915E+02          -3.1957200E-03
      3.642023E+02          -7.9253500E-03
      1.848879E+02          -1.5903000E-02
      9.698302E+01          -2.3299500E-02
      5.226988E+01          -1.3755700E-02
      2.875851E+01           2.4901100E-02
      1.600936E+01           8.1108500E-02
      8.901291E+00           9.2661600E-02
      4.852067E+00          -5.3831500E-02
      2.526768E+00          -2.0778400E-01
      1.293430E+00          -2.0445200E-01
      6.288114E-01           7.3213100E-02
Te    P
      9.522977E+06          -1.4553200E-06
      1.441694E+06          -5.0016100E-06
      2.982252E+05          -1.6561500E-05
      7.853973E+04          -5.0404000E-05
      2.487398E+04          -1.5160800E-04
      9.057015E+03          -4.5827000E-04
      3.662844E+03          -1.3869100E-03
      1.603586E+03          -4.1230300E-03
      7.460915E+02          -1.1482000E-02
      3.642023E+02          -2.8464200E-02
      1.848879E+02          -5.6973000E-02
      9.698302E+01          -8.3408700E-02
      5.226988E+01          -4.9800400E-02
      2.875851E+01           8.4109700E-02
      1.600936E+01           2.7348300E-01
      8.901291E+00           3.0703600E-01
      4.852067E+00          -1.1817300E-01
      2.526768E+00          -5.5019500E-01
      1.293430E+00          -4.4047000E-01
      6.288114E-01          -9.5419000E-02
Te    P
      2.937215E-01           1.0000000E+00
Te    P
      1.297272E-01           1.0000000E+00
Te    P
      5.506394E-02           1.0000000E+00
Te    P
      2.189894E-02           1.0000000E+00
Te    D
      1.351474E+04           2.0493100E-05
      3.600160E+03           1.5940900E-04
      1.258830E+03           9.8088600E-04
      5.258444E+02           4.6586300E-03
      2.458533E+02           1.7748500E-02
      1.233466E+02           5.3453500E-02
      6.477146E+01           1.2958700E-01
      3.511868E+01           2.3528500E-01
      1.950081E+01           3.1398800E-01
      1.099532E+01           2.8860900E-01
      6.202309E+00           1.5102900E-01
      3.406892E+00           3.7238700E-02
      1.829414E+00           2.3269900E-03
      9.615615E-01           3.9667700E-04
Te    D
      1.351474E+04          -8.1703000E-06
      3.600160E+03          -6.3590300E-05
      1.258830E+03          -3.9214100E-04
      5.258444E+02          -1.8683400E-03
      2.458533E+02          -7.1598800E-03
      1.233466E+02          -2.1752300E-02
      6.477146E+01          -5.3560900E-02
      3.511868E+01          -9.7023700E-02
      1.950081E+01          -1.2460500E-01
      1.099532E+01          -9.1070300E-02
      6.202309E+00           7.5950100E-02
      3.406892E+00           2.9423600E-01
      1.829414E+00           3.9194600E-01
      9.615615E-01           2.9314200E-01
Te    D
      4.848733E-01           1.0000000E+00
Te    D
      2.249995E-01           1.0000000E+00
Te    D
      1.174331E-01           1.0000000E+00
Te    D
      6.324810E-02           1.0000000E+00
Te    F
      5.190652E-01           1.0000000E+00
Te    F
      2.136175E-01           1.0000000E+00
Te    F
      9.364131E-02           1.0000000E+00
Te    G
      4.296783E-01           1.0000000E+00
Te    G
      2.041973E-01           1.0000000E+00
end
basis "I_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (139s,84p,32d,3f,2g) -> [9s,8p,6d,3f,2g]
I    S
      6.357480E+08           3.6872600E-05
      9.528006E+07           1.0058700E-04
      2.054339E+07           2.5391500E-04
      5.831884E+06           5.1199100E-04
      2.025098E+06           9.4385300E-04
      8.101825E+05           1.6195600E-03
      3.561475E+05           2.7426000E-03
      1.659030E+05           4.6418900E-03
      7.976734E+04           8.0528900E-03
      3.889197E+04           1.4349900E-02
      1.903133E+04           2.6407500E-02
      9.306833E+03           4.9725300E-02
      4.550847E+03           9.3787700E-02
      2.234106E+03           1.6821200E-01
      1.108092E+03           2.6090400E-01
      5.593301E+02           2.9772900E-01
      2.893399E+02           1.9644800E-01
      1.542179E+02           5.3000500E-02
      8.490718E+01           4.1812700E-03
      4.820998E+01          -1.0228000E-04
      2.803245E+01           3.0252100E-04
      1.646492E+01          -3.1852900E-04
      9.559064E+00           1.5675100E-04
      5.318588E+00          -9.3056800E-05
      2.720832E+00           5.2112200E-05
      1.406880E+00          -2.4526300E-05
      6.155038E-01           1.7115200E-05
I    S
      6.357480E+08          -1.2799800E-05
      9.528006E+07          -3.4912600E-05
      2.054339E+07          -8.8157300E-05
      5.831884E+06          -1.7789200E-04
      2.025098E+06          -3.2837700E-04
      8.101825E+05          -5.6457000E-04
      3.561475E+05          -9.5886100E-04
      1.659030E+05          -1.6294800E-03
      7.976734E+04          -2.8443500E-03
      3.889197E+04          -5.1139900E-03
      1.903133E+04          -9.5467400E-03
      9.306833E+03          -1.8391700E-02
      4.550847E+03          -3.6083700E-02
      2.234106E+03          -6.9386700E-02
      1.108092E+03          -1.2222300E-01
      5.593301E+02          -1.7244800E-01
      2.893399E+02          -1.3757500E-01
      1.542179E+02           8.2654100E-02
      8.490718E+01           4.0007100E-01
      4.820998E+01           4.4663400E-01
      2.803245E+01           2.0690100E-01
      1.646492E+01           3.6329400E-02
      9.559064E+00           2.0924600E-03
      5.318588E+00           1.9862500E-04
      2.720832E+00          -2.6599000E-04
      1.406880E+00          -9.4427200E-07
      6.155038E-01          -3.3181500E-05
I    S
      6.357480E+08           5.7270300E-06
      9.528006E+07           1.5620700E-05
      2.054339E+07           3.9445100E-05
      5.831884E+06           7.9606100E-05
      2.025098E+06           1.4697200E-04
      8.101825E+05           2.5277300E-04
      3.561475E+05           4.2944100E-04
      1.659030E+05           7.3036800E-04
      7.976734E+04           1.2756700E-03
      3.889197E+04           2.2975400E-03
      1.903133E+04           4.2959100E-03
      9.306833E+03           8.3093000E-03
      4.550847E+03           1.6388100E-02
      2.234106E+03           3.1878500E-02
      1.108092E+03           5.7238800E-02
      5.593301E+02           8.3863300E-02
      2.893399E+02           6.9887300E-02
      1.542179E+02          -5.3615700E-02
      8.490718E+01          -3.0917700E-01
      4.820998E+01          -4.5448000E-01
      2.803245E+01          -2.1213200E-01
      1.646492E+01           3.7234900E-01
      9.559064E+00           6.9974000E-01
      5.318588E+00           2.9668100E-01
      2.720832E+00           2.3953500E-02
      1.406880E+00           1.9214400E-03
      6.155038E-01          -2.0875000E-04
I    S
      6.357480E+08          -2.5833400E-06
      9.528006E+07          -7.0461300E-06
      2.054339E+07          -1.7793000E-05
      5.831884E+06          -3.5909500E-05
      2.025098E+06          -6.6300800E-05
      8.101825E+05          -1.1403400E-04
      3.561475E+05          -1.9375800E-04
      1.659030E+05          -3.2955500E-04
      7.976734E+04          -5.7576400E-04
      3.889197E+04          -1.0371400E-03
      1.903133E+04          -1.9404200E-03
      9.306833E+03          -3.7551400E-03
      4.550847E+03          -7.4172600E-03
      2.234106E+03          -1.4456600E-02
      1.108092E+03          -2.6079300E-02
      5.593301E+02          -3.8483500E-02
      2.893399E+02          -3.2468200E-02
      1.542179E+02           2.6172300E-02
      8.490718E+01           1.5695800E-01
      4.820998E+01           2.4589000E-01
      2.803245E+01           1.2080200E-01
      1.646492E+01          -2.6153000E-01
      9.559064E+00          -7.7447600E-01
      5.318588E+00          -3.1092100E-01
      2.720832E+00           7.1159700E-01
      1.406880E+00           6.9516300E-01
      6.155038E-01           1.0310500E-01
I    S
      6.357480E+08          -8.9326500E-07
      9.528006E+07          -2.4364000E-06
      2.054339E+07          -6.1524600E-06
      5.831884E+06          -1.2416800E-05
      2.025098E+06          -2.2926000E-05
      8.101825E+05          -3.9430800E-05
      3.561475E+05          -6.7003000E-05
      1.659030E+05          -1.1395500E-04
      7.976734E+04          -1.9912500E-04
      3.889197E+04          -3.5864200E-04
      1.903133E+04          -6.7120000E-04
      9.306833E+03          -1.2988000E-03
      4.550847E+03          -2.5667200E-03
      2.234106E+03          -5.0035600E-03
      1.108092E+03          -9.0368900E-03
      5.593301E+02          -1.3349800E-02
      2.893399E+02          -1.1298700E-02
      1.542179E+02           9.2035800E-03
      8.490718E+01           5.5558300E-02
      4.820998E+01           8.8157400E-02
      2.803245E+01           4.4265800E-02
      1.646492E+01          -9.9536800E-02
      9.559064E+00          -3.2394600E-01
      5.318588E+00          -1.1935800E-01
      2.720832E+00           3.8596300E-01
      1.406880E+00           5.8565300E-01
      6.155038E-01           9.5074500E-02
I    S
      3.782157E-01           1.0000000E+00
I    S
      1.781730E-01           1.0000000E+00
I    S
      8.197727E-02           1.0000000E+00
I    S
      3.205409E-02           1.0000000E+00
I    P
      9.735535E+06           7.6278100E-06
      1.548022E+06           2.4941400E-05
      3.260613E+05           8.2022600E-05
      8.587194E+04           2.4836100E-04
      2.696553E+04           7.4691800E-04
      9.716106E+03           2.2478000E-03
      3.896367E+03           6.7565500E-03
      1.698253E+03           1.9688100E-02
      7.900162E+02           5.3243400E-02
      3.868984E+02           1.2551100E-01
      1.973942E+02           2.3805800E-01
      1.040411E+02           3.2945400E-01
      5.622979E+01           2.7898500E-01
      3.092221E+01           1.1731600E-01
      1.714581E+01           1.8829300E-02
      9.474403E+00           8.9581900E-04
      5.137487E+00           3.5810600E-05
      2.678695E+00          -1.3475100E-04
      1.375866E+00          -7.6040100E-06
      6.626319E-01          -1.5176200E-05
I    P
      9.735535E+06          -3.5770800E-06
      1.548022E+06          -1.1704300E-05
      3.260613E+05          -3.8523200E-05
      8.587194E+04          -1.1687000E-04
      2.696553E+04          -3.5209400E-04
      9.716106E+03          -1.0644600E-03
      3.896367E+03          -3.2146600E-03
      1.698253E+03          -9.4817100E-03
      7.900162E+02          -2.6095600E-02
      3.868984E+02          -6.3725700E-02
      1.973942E+02          -1.2624400E-01
      1.040411E+02          -1.8485600E-01
      5.622979E+01          -1.2878900E-01
      3.092221E+01           1.1650300E-01
      1.714581E+01           4.2596900E-01
      9.474403E+00           4.3769000E-01
      5.137487E+00           1.4890900E-01
      2.678695E+00           1.4142700E-02
      1.375866E+00           7.1705200E-04
      6.626319E-01           1.5062000E-04
I    P
      9.735535E+06           4.6075300E-07
      1.548022E+06           1.5079000E-06
      3.260613E+05           4.9634800E-06
      8.587194E+04           1.5067700E-05
      2.696553E+04           4.5396800E-05
      9.716106E+03           1.3746300E-04
      3.896367E+03           4.1530100E-04
      1.698253E+03           1.2294400E-03
      7.900162E+02           3.3944200E-03
      3.868984E+02           8.3685200E-03
      1.973942E+02           1.6733700E-02
      1.040411E+02           2.4966300E-02
      5.622979E+01           1.5867800E-02
      3.092221E+01          -2.4563600E-02
      1.714581E+01          -8.8292600E-02
      9.474403E+00          -1.0176300E-01
      5.137487E+00           5.8391200E-02
      2.678695E+00           2.3168200E-01
      1.375866E+00           2.1691900E-01
      6.626319E-01          -1.1452600E-01
I    P
      9.735535E+06           1.5624900E-06
      1.548022E+06           5.1133500E-06
      3.260613E+05           1.6831400E-05
      8.587194E+04           5.1089300E-05
      2.696553E+04           1.5393000E-04
      9.716106E+03           4.6596400E-04
      3.896367E+03           1.4078200E-03
      1.698253E+03           4.1649500E-03
      7.900162E+02           1.1495500E-02
      3.868984E+02           2.8296700E-02
      1.973942E+02           5.6518100E-02
      1.040411E+02           8.4057300E-02
      5.622979E+01           5.4306100E-02
      3.092221E+01          -7.8323600E-02
      1.714581E+01          -2.7839300E-01
      9.474403E+00          -3.1874700E-01
      5.137487E+00           1.2129100E-01
      2.678695E+00           5.6273900E-01
      1.375866E+00           4.3594100E-01
      6.626319E-01           8.6309300E-02
I    P
      3.159894E-01           1.0000000E+00
I    P
      1.413747E-01           1.0000000E+00
I    P
      6.072141E-02           1.0000000E+00
I    P
      2.471036E-02           1.0000000E+00
I    D
      1.606384E+04          -1.7043600E-05
      4.288374E+03          -1.2768900E-04
      1.502213E+03          -7.6475700E-04
      6.320012E+02          -3.5287800E-03
      2.995285E+02          -1.3182900E-02
      1.530304E+02          -3.9559200E-02
      8.191893E+01          -9.8176400E-02
      4.515771E+01          -1.9291400E-01
      2.536205E+01          -2.8680100E-01
      1.438995E+01          -3.1252700E-01
      8.160022E+00          -2.0832400E-01
      4.544609E+00          -6.9315400E-02
      2.470968E+00          -8.2876400E-03
      1.322860E+00          -4.1624900E-04
I    D
      1.606384E+04          -6.9969500E-06
      4.288374E+03          -5.2505900E-05
      1.502213E+03          -3.1475700E-04
      6.320012E+02          -1.4580300E-03
      2.995285E+02          -5.4708800E-03
      1.530304E+02          -1.6553900E-02
      8.191893E+01          -4.1628000E-02
      4.515771E+01          -8.2495600E-02
      2.536205E+01          -1.1935800E-01
      1.438995E+01          -1.1879300E-01
      8.160022E+00           3.4899500E-05
      4.544609E+00           2.2654400E-01
      2.470968E+00           3.8574200E-01
      1.322860E+00           3.4449100E-01
I    D
      6.892043E-01           1.0000000E+00
I    D
      3.417667E-01           1.0000000E+00
I    D
      1.515564E-01           1.0000000E+00
I    D
      6.365751E-02           1.0000000E+00
I    F
      5.874441E-01           1.0000000E+00
I    F
      2.499729E-01           1.0000000E+00
I    F
      1.286886E-01           1.0000000E+00
I    G
      4.736986E-01           1.0000000E+00
I    G
      2.341286E-01           1.0000000E+00
end
basis "Xe_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (139s,84p,32d,3f,2g) -> [9s,8p,6d,3f,2g]
Xe    S
      6.997100E+08           3.7076500E-05
      1.034493E+08           1.0204700E-04
      2.229478E+07           2.5501000E-04
      6.379236E+06           5.0708300E-04
      2.242793E+06           9.2020800E-04
      9.098652E+05           1.5544100E-03
      4.053217E+05           2.5987500E-03
      1.909353E+05           4.3518000E-03
      9.256211E+04           7.4897900E-03
      4.535376E+04           1.3259500E-02
      2.223212E+04           2.4276500E-02
      1.086124E+04           4.5571900E-02
      5.294779E+03           8.6077400E-02
      2.588383E+03           1.5603500E-01
      1.278125E+03           2.4857700E-01
      6.427614E+02           2.9929200E-01
      3.317796E+02           2.1743200E-01
      1.768457E+02           6.9552000E-02
      9.762102E+01           6.7906100E-03
      5.571840E+01           1.0529700E-04
      3.263729E+01           2.4626700E-04
      1.933308E+01          -2.7187900E-04
      1.131450E+01           1.2318000E-04
      6.327970E+00          -8.2598400E-05
      3.234550E+00           4.8414700E-05
      1.713391E+00          -2.4089200E-05
      8.596864E-01           1.3770100E-05
Xe    S
      6.997100E+08          -1.2921900E-05
      1.034493E+08          -3.5559000E-05
      2.229478E+07          -8.8884100E-05
      6.379236E+06          -1.7687200E-04
      2.242793E+06          -3.2137700E-04
      9.098652E+05          -5.4389900E-04
      4.053217E+05          -9.1183000E-04
      1.909353E+05          -1.5328900E-03
      9.256211E+04          -2.6533900E-03
      4.535376E+04          -4.7375500E-03
      2.223212E+04          -8.7896200E-03
      1.086124E+04          -1.6856700E-02
      5.294779E+03          -3.3014200E-02
      2.588383E+03          -6.3806900E-02
      1.278125E+03          -1.1417200E-01
      6.427614E+02          -1.6764200E-01
      3.317796E+02          -1.5130100E-01
      1.768457E+02           3.6407100E-02
      9.762102E+01           3.5065300E-01
      5.571840E+01           4.5932900E-01
      3.263729E+01           2.5425100E-01
      1.933308E+01           5.8074200E-02
      1.131450E+01           3.7870700E-03
      6.327970E+00           5.4177000E-04
      3.234550E+00          -3.8902500E-04
      1.713391E+00           4.3949400E-05
      8.596864E-01          -6.3489100E-05
Xe    S
      6.997100E+08           5.8048500E-06
      1.034493E+08           1.5973700E-05
      2.229478E+07           3.9929700E-05
      6.379236E+06           7.9466100E-05
      2.242793E+06           1.4441400E-04
      9.098652E+05           2.4448600E-04
      4.053217E+05           4.1000200E-04
      1.909353E+05           6.8976500E-04
      9.256211E+04           1.1947000E-03
      4.535376E+04           2.1364200E-03
      2.223212E+04           3.9701100E-03
      1.086124E+04           7.6414600E-03
      5.294779E+03           1.5041200E-02
      2.588383E+03           2.9374300E-02
      1.278125E+03           5.3502900E-02
      6.427614E+02           8.1319200E-02
      3.317796E+02           7.6768500E-02
      1.768457E+02          -2.5524800E-02
      9.762102E+01          -2.6114500E-01
      5.571840E+01          -4.4773900E-01
      3.263729E+01          -2.8747000E-01
      1.933308E+01           2.3261200E-01
      1.131450E+01           7.0875800E-01
      6.327970E+00           4.0273100E-01
      3.234550E+00           4.5158400E-02
      1.713391E+00           1.3222300E-03
      8.596864E-01           3.6892800E-04
Xe    S
      6.997100E+08          -2.6470400E-06
      1.034493E+08          -7.2840300E-06
      2.229478E+07          -1.8208300E-05
      6.379236E+06          -3.6237700E-05
      2.242793E+06          -6.5858500E-05
      9.098652E+05          -1.1149900E-04
      4.053217E+05          -1.8701000E-04
      1.909353E+05          -3.1462200E-04
      9.256211E+04          -5.4511800E-04
      4.535376E+04          -9.7486200E-04
      2.223212E+04          -1.8128400E-03
      1.086124E+04          -3.4904800E-03
      5.294779E+03          -6.8813000E-03
      2.588383E+03          -1.3460600E-02
      1.278125E+03          -2.4630100E-02
      6.427614E+02          -3.7672000E-02
      3.317796E+02          -3.6023300E-02
      1.768457E+02           1.2825600E-02
      9.762102E+01           1.3266700E-01
      5.571840E+01           2.4357100E-01
      3.263729E+01           1.6175700E-01
      1.933308E+01          -1.5006300E-01
      1.131450E+01          -7.3240000E-01
      6.327970E+00          -5.0211900E-01
      3.234550E+00           5.6926800E-01
      1.713391E+00           7.8797700E-01
      8.596864E-01           1.6910400E-01
Xe    S
      6.997100E+08           9.4421100E-07
      1.034493E+08           2.5982100E-06
      2.229478E+07           6.4950100E-06
      6.379236E+06           1.2925900E-05
      2.242793E+06           2.3493300E-05
      9.098652E+05           3.9769200E-05
      4.053217E+05           6.6720900E-05
      1.909353E+05           1.1220400E-04
      9.256211E+04           1.9453900E-04
      4.535376E+04           3.4762400E-04
      2.223212E+04           6.4716800E-04
      1.086124E+04           1.2447500E-03
      5.294779E+03           2.4578700E-03
      2.588383E+03           4.8024300E-03
      1.278125E+03           8.8117800E-03
      6.427614E+02           1.3458400E-02
      3.317796E+02           1.2983100E-02
      1.768457E+02          -4.8121500E-03
      9.762102E+01          -4.8026500E-02
      5.571840E+01          -9.0869100E-02
      3.263729E+01          -5.8916600E-02
      1.933308E+01           5.4350700E-02
      1.131450E+01           3.1787400E-01
      6.327970E+00           2.0749500E-01
      3.234550E+00          -3.0651500E-01
      1.713391E+00          -6.3943100E-01
      8.596864E-01          -1.9338800E-01
Xe    S
      4.452610E-01           1.0000000E+00
Xe    S
      2.076798E-01           1.0000000E+00
Xe    S
      9.450368E-02           1.0000000E+00
Xe    S
      3.492464E-02           1.0000000E+00
Xe    P
      1.194119E+07           7.1428000E-06
      1.833542E+06           2.3960400E-05
      3.785921E+05           7.8460700E-05
      9.866320E+04           2.3520800E-04
      3.081587E+04           6.9620700E-04
      1.106742E+04           2.0621100E-03
      4.424767E+03           6.1247500E-03
      1.921081E+03           1.7796500E-02
      8.891784E+02           4.8499900E-02
      4.328647E+02           1.1659300E-01
      2.194524E+02           2.2751200E-01
      1.149870E+02           3.2696000E-01
      6.185596E+01           2.9124400E-01
      3.392096E+01           1.3049200E-01
      1.879672E+01           2.2851200E-02
      1.040058E+01           1.0907200E-03
      5.653386E+00           8.3301100E-05
      2.952876E+00          -1.6201100E-04
      1.524471E+00           2.1629200E-06
      7.390001E-01          -2.1383500E-05
Xe    P
      1.194119E+07          -3.3669900E-06
      1.833542E+06          -1.1302100E-05
      3.785921E+05          -3.7040300E-05
      9.866320E+04          -1.1125200E-04
      3.081587E+04          -3.2985600E-04
      1.106742E+04          -9.8145800E-04
      4.424767E+03          -2.9276900E-03
      1.921081E+03          -8.6070300E-03
      8.891784E+02          -2.3840500E-02
      4.328647E+02          -5.9297100E-02
      2.194524E+02          -1.2070600E-01
      1.149870E+02          -1.8386400E-01
      6.185596E+01          -1.4231900E-01
      3.392096E+01           9.2116700E-02
      1.879672E+01           4.1012900E-01
      1.040058E+01           4.5308800E-01
      5.653386E+00           1.6710800E-01
      2.952876E+00           1.7081000E-02
      1.524471E+00           7.6399200E-04
      7.390001E-01           1.5146200E-04
Xe    P
      1.194119E+07           4.5867800E-07
      1.833542E+06           1.5399800E-06
      3.785921E+05           5.0473300E-06
      9.866320E+04           1.5170100E-05
      3.081587E+04           4.4978600E-05
      1.106742E+04           1.3405200E-04
      4.424767E+03           3.9998000E-04
      1.921081E+03           1.1802500E-03
      8.891784E+02           3.2785200E-03
      4.328647E+02           8.2319600E-03
      2.194524E+02           1.6909700E-02
      1.149870E+02           2.6261600E-02
      6.185596E+01           1.9018800E-02
      3.392096E+01          -2.1798600E-02
      1.879672E+01          -8.9802000E-02
      1.040058E+01          -1.1298700E-01
      5.653386E+00           4.9066400E-02
      2.952876E+00           2.4529200E-01
      1.524471E+00           2.3799400E-01
      7.390001E-01          -1.2252500E-01
Xe    P
      1.194119E+07           1.4924200E-06
      1.833542E+06           5.0104500E-06
      3.785921E+05           1.6422300E-05
      9.866320E+04           4.9349700E-05
      3.081587E+04           1.4633800E-04
      1.106742E+04           4.3594500E-04
      4.424767E+03           1.3010500E-03
      1.921081E+03           3.8357200E-03
      8.891784E+02           1.0654400E-02
      4.328647E+02           2.6701700E-02
      2.194524E+02           5.4805200E-02
      1.149870E+02           8.4785100E-02
      6.185596E+01           6.2253600E-02
      3.392096E+01          -6.6273100E-02
      1.879672E+01          -2.7082400E-01
      1.040058E+01          -3.3763000E-01
      5.653386E+00           8.8517800E-02
      2.952876E+00           5.6241700E-01
      1.524471E+00           4.5420500E-01
      7.390001E-01           9.1658500E-02
Xe    P
      3.570211E-01           1.0000000E+00
Xe    P
      1.613714E-01           1.0000000E+00
Xe    P
      6.967257E-02           1.0000000E+00
Xe    P
      2.752178E-02           1.0000000E+00
Xe    D
      1.886378E+04           1.3960000E-05
      5.298904E+03           9.3956500E-05
      1.858910E+03           5.6763900E-04
      7.641212E+02           2.7699700E-03
      3.508735E+02           1.1205900E-02
      1.738697E+02           3.6131900E-02
      9.076969E+01           9.4301900E-02
      4.911659E+01           1.9180000E-01
      2.723904E+01           2.8999500E-01
      1.534358E+01           3.1678700E-01
      8.696177E+00           2.0911500E-01
      4.896684E+00           7.0128800E-02
      2.708006E+00           9.2655200E-03
      1.486927E+00           3.4105900E-04
Xe    D
      1.886378E+04          -5.8887000E-06
      5.298904E+03          -3.9660500E-05
      1.858910E+03          -2.3999100E-04
      7.641212E+02          -1.1744400E-03
      3.508735E+02          -4.7751000E-03
      1.738697E+02          -1.5511400E-02
      9.076969E+01          -4.1054400E-02
      4.911659E+01          -8.4298400E-02
      2.723904E+01          -1.2438600E-01
      1.534358E+01          -1.2378500E-01
      8.696177E+00          -1.1073100E-03
      4.896684E+00           2.2468600E-01
      2.708006E+00           3.8058800E-01
      1.486927E+00           3.3958200E-01
Xe    D
      7.976206E-01           1.0000000E+00
Xe    D
      4.009714E-01           1.0000000E+00
Xe    D
      1.606088E-01           1.0000000E+00
Xe    D
      6.406692E-02           1.0000000E+00
Xe    F
      6.632271E-01           1.0000000E+00
Xe    F
      2.985822E-01           1.0000000E+00
Xe    F
      1.637359E-01           1.0000000E+00
Xe    G
      5.276223E-01           1.0000000E+00
Xe    G
      2.640599E-01           1.0000000E+00
end
basis "Cs_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (208s,139p,56d,6f,2g) -> [10s,9p,7d,4f,2g]
Cs    S
      7.569936E+07           1.800000E-04
      2.013298E+07           1.820000E-04
      6.894908E+06           5.220000E-04
      2.628184E+06           7.580000E-04
      1.091770E+06           1.519000E-03
      4.780662E+05           2.445000E-03
      2.187885E+05           4.391000E-03
      1.036442E+05           7.301000E-03
      5.065045E+04           1.267500E-02
      2.542836E+04           2.146100E-02
      1.307510E+04           3.707500E-02
      6.870510E+03           6.283900E-02
      3.686641E+03           1.043460E-01
      2.017516E+03           1.619320E-01
      1.123645E+03           2.235370E-01
      6.367618E+02           2.465400E-01
      3.685545E+02           1.901520E-01
      2.213581E+02           8.259800E-02
      1.476662E+02           2.059400E-02
      9.797435E+01           4.753000E-03
      6.111125E+01           3.140000E-04
      3.694398E+01          -5.000000E-05
      2.204170E+01           4.100000E-05
      1.360510E+01          -1.250000E-04
      8.475589E+00           8.100000E-05
      5.355106E+00          -7.100000E-05
      3.449981E+00           5.400000E-05
      2.149523E+00          -2.500000E-05
      1.266467E+00           1.200000E-05
      6.414416E-01          -6.000000E-06
      3.647962E-01           4.000000E-06
      2.028609E-01          -2.000000E-06
      1.107520E-01           1.000000E-06
      5.007911E-02          -1.000000E-06
Cs    S
      7.569936E+07          -6.300000E-05
      2.013298E+07          -6.400000E-05
      6.894908E+06          -1.830000E-04
      2.628184E+06          -2.660000E-04
      1.091770E+06          -5.340000E-04
      4.780662E+05          -8.610000E-04
      2.187885E+05          -1.552000E-03
      1.036442E+05          -2.596000E-03
      5.065045E+04          -4.543000E-03
      2.542836E+04          -7.788000E-03
      1.307510E+04          -1.370100E-02
      6.870510E+03          -2.389600E-02
      3.686641E+03          -4.147400E-02
      2.017516E+03          -6.918900E-02
      1.123645E+03          -1.071980E-01
      6.367618E+02          -1.409970E-01
      3.685545E+02          -1.301160E-01
      2.213581E+02          -3.196100E-02
      1.476662E+02           9.786300E-02
      9.797435E+01           2.858860E-01
      6.111125E+01           4.168600E-01
      3.694398E+01           2.853590E-01
      2.204170E+01           7.868600E-02
      1.360510E+01           6.411000E-03
      8.475589E+00           1.401000E-03
      5.355106E+00          -4.230000E-04
      3.449981E+00           2.400000E-05
      2.149523E+00          -1.470000E-04
      1.266467E+00           7.000000E-06
      6.414416E-01          -5.000000E-06
      3.647962E-01           9.000000E-06
      2.028609E-01          -2.000000E-06
      1.107520E-01           2.000000E-06
      5.007911E-02          -1.000000E-06
Cs    S
      7.569936E+07           2.800000E-05
      2.013298E+07           2.900000E-05
      6.894908E+06           8.200000E-05
      2.628184E+06           1.200000E-04
      1.091770E+06           2.410000E-04
      4.780662E+05           3.890000E-04
      2.187885E+05           7.010000E-04
      1.036442E+05           1.173000E-03
      5.065045E+04           2.056000E-03
      2.542836E+04           3.531000E-03
      1.307510E+04           6.229000E-03
      6.870510E+03           1.091100E-02
      3.686641E+03           1.906900E-02
      2.017516E+03           3.216900E-02
      1.123645E+03           5.079500E-02
      6.367618E+02           6.883400E-02
      3.685545E+02           6.610300E-02
      2.213581E+02           1.488000E-02
      1.476662E+02          -6.443100E-02
      9.797435E+01          -2.182690E-01
      6.111125E+01          -3.984830E-01
      3.694398E+01          -3.272750E-01
      2.204170E+01           1.173910E-01
      1.360510E+01           5.794820E-01
      8.475589E+00           4.794630E-01
      5.355106E+00           1.647850E-01
      3.449981E+00           2.647800E-02
      2.149523E+00           3.928000E-03
      1.266467E+00           5.390000E-04
      6.414416E-01           7.000000E-06
      3.647962E-01          -1.010000E-04
      2.028609E-01          -3.000000E-06
      1.107520E-01          -1.600000E-05
      5.007911E-02           7.000000E-06
Cs    S
      7.569936E+07           1.300000E-05
      2.013298E+07           1.300000E-05
      6.894908E+06           3.800000E-05
      2.628184E+06           5.500000E-05
      1.091770E+06           1.110000E-04
      4.780662E+05           1.790000E-04
      2.187885E+05           3.230000E-04
      1.036442E+05           5.410000E-04
      5.065045E+04           9.480000E-04
      2.542836E+04           1.629000E-03
      1.307510E+04           2.875000E-03
      6.870510E+03           5.042000E-03
      3.686641E+03           8.822000E-03
      2.017516E+03           1.492500E-02
      1.123645E+03           2.365000E-02
      6.367618E+02           3.229100E-02
      3.685545E+02           3.121300E-02
      2.213581E+02           7.093000E-03
      1.476662E+02          -3.247100E-02
      9.797435E+01          -1.127330E-01
      6.111125E+01          -2.178070E-01
      3.694398E+01          -1.868360E-01
      2.204170E+01           7.301400E-02
      1.360510E+01           5.438750E-01
      8.475589E+00           6.143870E-01
      5.355106E+00           1.287010E-01
      3.449981E+00          -4.220920E-01
      2.149523E+00          -6.923490E-01
      1.266467E+00          -3.515640E-01
      6.414416E-01          -3.926900E-02
      3.647962E-01           3.475000E-03
      2.028609E-01          -2.585000E-03
      1.107520E-01           8.370000E-04
      5.007911E-02          -5.490000E-04
Cs    S
      7.569936E+07          -5.000000E-06
      2.013298E+07          -5.000000E-06
      6.894908E+06          -1.400000E-05
      2.628184E+06          -2.100000E-05
      1.091770E+06          -4.200000E-05
      4.780662E+05          -6.700000E-05
      2.187885E+05          -1.210000E-04
      1.036442E+05          -2.030000E-04
      5.065045E+04          -3.560000E-04
      2.542836E+04          -6.130000E-04
      1.307510E+04          -1.081000E-03
      6.870510E+03          -1.896000E-03
      3.686641E+03          -3.320000E-03
      2.017516E+03          -5.617000E-03
      1.123645E+03          -8.914000E-03
      6.367618E+02          -1.217500E-02
      3.685545E+02          -1.182100E-02
      2.213581E+02          -2.605000E-03
      1.476662E+02           1.226700E-02
      9.797435E+01           4.367000E-02
      6.111125E+01           8.452300E-02
      3.694398E+01           7.417200E-02
      2.204170E+01          -2.915800E-02
      1.360510E+01          -2.406920E-01
      8.475589E+00          -2.880410E-01
      5.355106E+00          -3.770600E-02
      3.449981E+00           2.261950E-01
      2.149523E+00           5.469260E-01
      1.266467E+00           4.103660E-01
      6.414416E-01          -2.501170E-01
      3.647962E-01          -6.311520E-01
      2.028609E-01          -4.314940E-01
      1.107520E-01          -8.735100E-02
      5.007911E-02          -1.606000E-03
Cs    S
      7.569936E+07          -1.000000E-06
      2.013298E+07          -1.000000E-06
      6.894908E+06          -3.000000E-06
      2.628184E+06          -5.000000E-06
      1.091770E+06          -1.000000E-05
      4.780662E+05          -1.600000E-05
      2.187885E+05          -2.800000E-05
      1.036442E+05          -4.700000E-05
      5.065045E+04          -8.200000E-05
      2.542836E+04          -1.410000E-04
      1.307510E+04          -2.500000E-04
      6.870510E+03          -4.380000E-04
      3.686641E+03          -7.660000E-04
      2.017516E+03          -1.296000E-03
      1.123645E+03          -2.058000E-03
      6.367618E+02          -2.810000E-03
      3.685545E+02          -2.732000E-03
      2.213581E+02          -5.950000E-04
      1.476662E+02           2.824000E-03
      9.797435E+01           1.012700E-02
      6.111125E+01           1.956600E-02
      3.694398E+01           1.725500E-02
      2.204170E+01          -6.820000E-03
      1.360510E+01          -5.663300E-02
      8.475589E+00          -6.839300E-02
      5.355106E+00          -8.048000E-03
      3.449981E+00           5.352200E-02
      2.149523E+00           1.418260E-01
      1.266467E+00           1.091580E-01
      6.414416E-01          -8.585600E-02
      3.647962E-01          -1.978790E-01
      2.028609E-01          -2.191800E-01
      1.107520E-01          -1.817770E-01
      5.007911E-02           1.152610E-01
Cs    S
      3.030587E-02           1.000000E+00
Cs    S
      1.732763E-02           1.000000E+00
Cs    S
      9.552330E-03           1.000000E+00
Cs    S
      5.270000E-03           1.000000E+00
Cs    P
      3.598457E+07           3.000000E-06
      7.724848E+06           7.000000E-06
      2.002061E+06           1.900000E-05
      5.883433E+05           4.600000E-05
      1.904825E+05           1.180000E-04
      6.687565E+04           3.040000E-04
      2.528215E+04           8.070000E-04
      1.026088E+04           2.188000E-03
      4.452713E+03           6.001000E-03
      2.051025E+03           1.623200E-02
      9.935652E+02           4.183500E-02
      5.018436E+02           9.754800E-02
      2.622280E+02           1.924340E-01
      1.407402E+02           2.956310E-01
      7.724210E+01           3.085090E-01
      4.287427E+01           1.814900E-01
      2.378583E+01           4.595300E-02
      1.343564E+01           3.107000E-03
      7.615558E+00           4.480000E-04
      4.260524E+00          -2.730000E-04
      2.349671E+00           4.100000E-05
      1.298603E+00          -8.500000E-05
      7.384104E-01           4.700000E-05
      4.012340E-01          -3.300000E-05
      2.217556E-01           2.400000E-05
      1.238940E-01          -1.800000E-05
      6.654360E-02           1.500000E-05
      4.124587E-02          -1.200000E-05
Cs    P
      3.598457E+07          -1.000000E-06
      7.724848E+06          -3.000000E-06
      2.002061E+06          -9.000000E-06
      5.883433E+05          -2.200000E-05
      1.904825E+05          -5.600000E-05
      6.687565E+04          -1.450000E-04
      2.528215E+04          -3.850000E-04
      1.026088E+04          -1.047000E-03
      4.452713E+03          -2.886000E-03
      2.051025E+03          -7.884000E-03
      9.935652E+02          -2.064700E-02
      5.018436E+02          -4.954400E-02
      2.622280E+02          -1.017240E-01
      1.407402E+02          -1.647430E-01
      7.724210E+01          -1.685790E-01
      4.287427E+01           3.300000E-04
      2.378583E+01           3.117510E-01
      1.343564E+01           4.728370E-01
      7.615558E+00           2.687380E-01
      4.260524E+00           5.468000E-02
      2.349671E+00           3.653000E-03
      1.298603E+00           5.000000E-04
      7.384104E-01          -4.400000E-05
      4.012340E-01          -1.000000E-06
      2.217556E-01          -1.200000E-05
      1.238940E-01           4.000000E-06
      6.654360E-02          -2.000000E-06
      4.124587E-02           2.000000E-06
Cs    P
      3.598457E+07           1.000000E-06
      7.724848E+06           1.000000E-06
      2.002061E+06           4.000000E-06
      5.883433E+05           1.000000E-05
      1.904825E+05           2.500000E-05
      6.687565E+04           6.500000E-05
      2.528215E+04           1.730000E-04
      1.026088E+04           4.710000E-04
      4.452713E+03           1.300000E-03
      2.051025E+03           3.560000E-03
      9.935652E+02           9.351000E-03
      5.018436E+02           2.257800E-02
      2.622280E+02           4.674000E-02
      1.407402E+02           7.670100E-02
      7.724210E+01           7.781200E-02
      4.287427E+01          -1.548300E-02
      2.378583E+01          -2.035560E-01
      1.343564E+01          -3.515340E-01
      7.615558E+00          -1.251160E-01
      4.260524E+00           3.591460E-01
      2.349671E+00           5.474930E-01
      1.298603E+00           2.653710E-01
      7.384104E-01           4.423800E-02
      4.012340E-01           6.167000E-03
      2.217556E-01          -9.580000E-04
      1.238940E-01           9.560000E-04
      6.654360E-02          -7.830000E-04
      4.124587E-02           5.890000E-04
Cs    P
      2.002061E+06           1.000000E-06
      5.883433E+05           3.000000E-06
      1.904825E+05           8.000000E-06
      6.687565E+04           2.200000E-05
      2.528215E+04           5.800000E-05
      1.026088E+04           1.580000E-04
      4.452713E+03           4.360000E-04
      2.051025E+03           1.193000E-03
      9.935652E+02           3.137000E-03
      5.018436E+02           7.578000E-03
      2.622280E+02           1.572100E-02
      1.407402E+02           2.584300E-02
      7.724210E+01           2.620500E-02
      4.287427E+01          -6.306000E-03
      2.378583E+01          -7.283600E-02
      1.343564E+01          -1.301640E-01
      7.615558E+00          -3.522400E-02
      4.260524E+00           1.693630E-01
      2.349671E+00           2.881830E-01
      1.298603E+00           1.464320E-01
      7.384104E-01          -1.977630E-01
      4.012340E-01          -4.262820E-01
      2.217556E-01          -3.848720E-01
      1.238940E-01          -1.754200E-01
      6.654360E-02          -3.191500E-02
      4.124587E-02          -5.960000E-04
Cs    P
      5.883433E+05           1.000000E-06
      1.904825E+05           1.000000E-06
      6.687565E+04           4.000000E-06
      2.528215E+04           9.000000E-06
      1.026088E+04           2.600000E-05
      4.452713E+03           7.100000E-05
      2.051025E+03           1.940000E-04
      9.935652E+02           5.090000E-04
      5.018436E+02           1.230000E-03
      2.622280E+02           2.553000E-03
      1.407402E+02           4.197000E-03
      7.724210E+01           4.257000E-03
      4.287427E+01          -1.041000E-03
      2.378583E+01          -1.188100E-02
      1.343564E+01          -2.130700E-02
      7.615558E+00          -5.586000E-03
      4.260524E+00           2.815200E-02
      2.349671E+00           4.872700E-02
      1.298603E+00           2.447400E-02
      7.384104E-01          -3.803100E-02
      4.012340E-01          -8.001400E-02
      2.217556E-01          -8.605700E-02
      1.238940E-01          -8.144400E-02
      6.654360E-02          -6.817000E-03
      4.124587E-02           1.260130E-01
Cs    P
      2.471370E-02           1.000000E+00
Cs    P
      1.341446E-02           1.000000E+00
Cs    P
      6.989890E-03           1.000000E+00
Cs    P
      3.640000E-03           1.000000E+00
Cs    D
      2.997983E+04           8.000000E-06
      7.490983E+03           5.800000E-05
      2.607456E+03           3.250000E-04
      1.078624E+03           1.538000E-03
      4.975519E+02           6.239000E-03
      2.475455E+02           2.108900E-02
      1.296852E+02           5.877700E-02
      7.055804E+01           1.328630E-01
      3.952457E+01           2.317570E-01
      2.248947E+01           3.071860E-01
      1.294025E+01           2.815480E-01
      7.410506E+00           1.496750E-01
      4.156769E+00           3.722200E-02
      2.284251E+00           2.816000E-03
      1.225407E+00           1.440000E-04
      6.242734E-01          -7.900000E-05
      1.062800E-01          -7.000000E-06
Cs    D
      2.997983E+04          -3.000000E-06
      7.490983E+03          -2.500000E-05
      2.607456E+03          -1.410000E-04
      1.078624E+03          -6.680000E-04
      4.975519E+02          -2.718000E-03
      2.475455E+02          -9.256000E-03
      1.296852E+02          -2.602600E-02
      7.055804E+01          -5.983000E-02
      3.952457E+01          -1.037220E-01
      2.248947E+01          -1.327630E-01
      1.294025E+01          -9.325900E-02
      7.410506E+00           8.435700E-02
      4.156769E+00           3.104940E-01
      2.284251E+00           4.039220E-01
      1.225407E+00           2.740490E-01
      6.242734E-01           8.739200E-02
      2.761600E-01           8.406000E-03
      1.062800E-01          -1.310000E-04
Cs    D
      7.490983E+03           2.000000E-06
      2.607456E+03           1.100000E-05
      1.078624E+03           5.200000E-05
      4.975519E+02           2.190000E-04
      2.475455E+02           7.260000E-04
      1.296852E+02           2.096000E-03
      7.055804E+01           4.700000E-03
      3.952457E+01           8.412000E-03
      2.248947E+01           1.020900E-02
      1.294025E+01           7.656000E-03
      7.410506E+00          -9.686000E-03
      4.156769E+00          -2.643700E-02
      2.284251E+00          -3.998400E-02
      1.225407E+00          -1.572500E-02
      6.242734E-01           3.038100E-02
      2.761600E-01           1.260910E-01
      1.062800E-01           1.618810E-01
Cs    D
      4.804054E-02           1.000000E+00
Cs    D
      2.232686E-02           1.000000E+00
Cs    D
      1.396031E-02           1.000000E+00
Cs    D
      5.580000E-03           1.000000E+00
Cs    F
      5.153937E+00           4.652500E-02
      8.628476E-01           3.965160E-01
      4.366305E-01           5.737920E-01
Cs    F
      2.064243E-01           1.000000E+00
Cs    F
      5.666600E-02           1.000000E+00
Cs    F
      2.267000E-02           1.000000E+00
Cs    G
      6.672300E-02           1.000000E+00
Cs    G
      2.669000E-02           1.000000E+00
end
basis "Ba_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (196s,135p,55d,7f,2g) -> [10s,9p,7d,4f,2g]
Ba    S
      7.373883E+07           1.950000E-04
      1.948030E+07           2.050000E-04
      6.560104E+06           5.800000E-04
      2.431082E+06           9.020000E-04
      9.700524E+05           1.825000E-03
      4.054772E+05           3.140000E-03
      1.765748E+05           5.790000E-03
      7.961590E+04           1.018400E-02
      3.707150E+04           1.836700E-02
      1.776087E+04           3.277800E-02
      8.729003E+03           5.887600E-02
      4.396491E+03           1.024670E-01
      2.274365E+03           1.662720E-01
      1.213066E+03           2.325420E-01
      6.684086E+02           2.561030E-01
      3.792848E+02           1.947540E-01
      2.202329E+02           8.546900E-02
      1.305990E+02           1.516800E-02
      8.554790E+01           1.898000E-03
      6.028551E+01          -4.070000E-04
      3.771133E+01           3.580000E-04
      2.143992E+01          -2.800000E-04
      1.328996E+01           1.570000E-04
      8.114876E+00          -1.310000E-04
      4.923861E+00           8.400000E-05
      2.866215E+00          -4.400000E-05
      1.667258E+00           2.900000E-05
      9.233273E-01          -1.800000E-05
      5.300178E-01           1.100000E-05
      2.986773E-01          -6.000000E-06
      1.661554E-01           3.000000E-06
      7.306632E-02          -1.000000E-06
Ba    S
      7.373883E+07          -6.900000E-05
      1.948030E+07          -7.200000E-05
      6.560104E+06          -2.040000E-04
      2.431082E+06          -3.180000E-04
      9.700524E+05          -6.440000E-04
      4.054772E+05          -1.111000E-03
      1.765748E+05          -2.058000E-03
      7.961590E+04          -3.647000E-03
      3.707150E+04          -6.648000E-03
      1.776087E+04          -1.206800E-02
      8.729003E+03          -2.225400E-02
      4.396491E+03          -4.045100E-02
      2.274365E+03          -7.047900E-02
      1.213066E+03          -1.110150E-01
      6.684086E+02          -1.460090E-01
      3.792848E+02          -1.341510E-01
      2.202329E+02          -1.692000E-02
      1.305990E+02           2.001150E-01
      8.554790E+01           2.709760E-01
      6.028551E+01           3.361450E-01
      3.771133E+01           2.804690E-01
      2.143992E+01           7.296300E-02
      1.328996E+01          -8.730000E-04
      8.114876E+00           3.571000E-03
      4.923861E+00          -1.815000E-03
      2.866215E+00           7.600000E-04
      1.667258E+00          -5.530000E-04
      9.233273E-01           3.110000E-04
      5.300178E-01          -1.920000E-04
      2.986773E-01           1.140000E-04
      1.661554E-01          -5.100000E-05
      7.306632E-02           2.600000E-05
Ba    S
      7.373883E+07           3.100000E-05
      1.948030E+07           3.300000E-05
      6.560104E+06           9.200000E-05
      2.431082E+06           1.440000E-04
      9.700524E+05           2.920000E-04
      4.054772E+05           5.030000E-04
      1.765748E+05           9.330000E-04
      7.961590E+04           1.655000E-03
      3.707150E+04           3.023000E-03
      1.776087E+04           5.501000E-03
      8.729003E+03           1.018600E-02
      4.396491E+03           1.863500E-02
      2.274365E+03           3.284500E-02
      1.213066E+03           5.271500E-02
      6.684086E+02           7.156900E-02
      3.792848E+02           6.829700E-02
      2.202329E+02           6.220000E-03
      1.305990E+02          -1.404090E-01
      8.554790E+01          -2.225280E-01
      6.028551E+01          -3.375560E-01
      3.771133E+01          -3.110020E-01
      2.143992E+01           1.831960E-01
      1.328996E+01           6.237550E-01
      8.114876E+00           4.419420E-01
      4.923861E+00           1.178510E-01
      2.866215E+00           1.102800E-02
      1.667258E+00           1.383000E-03
      9.233273E-01           2.000000E-06
      5.300178E-01          -5.300000E-05
      2.986773E-01          -6.900000E-05
      1.661554E-01           3.000000E-06
      7.306632E-02          -7.000000E-06
Ba    S
      7.373883E+07           1.400000E-05
      1.948030E+07           1.500000E-05
      6.560104E+06           4.300000E-05
      2.431082E+06           6.700000E-05
      9.700524E+05           1.360000E-04
      4.054772E+05           2.340000E-04
      1.765748E+05           4.350000E-04
      7.961590E+04           7.710000E-04
      3.707150E+04           1.408000E-03
      1.776087E+04           2.564000E-03
      8.729003E+03           4.752000E-03
      4.396491E+03           8.707000E-03
      2.274365E+03           1.538300E-02
      1.213066E+03           2.479400E-02
      6.684086E+02           3.389000E-02
      3.792848E+02           3.264500E-02
      2.202329E+02           2.711000E-03
      1.305990E+02          -7.171900E-02
      8.554790E+01          -1.194750E-01
      6.028551E+01          -1.863250E-01
      3.771133E+01          -1.827770E-01
      2.143992E+01           1.275380E-01
      1.328996E+01           6.255770E-01
      8.114876E+00           5.987420E-01
      4.923861E+00          -8.461200E-02
      2.866215E+00          -7.383510E-01
      1.667258E+00          -5.498870E-01
      9.233273E-01          -1.039640E-01
      5.300178E-01          -1.182000E-03
      2.986773E-01          -2.287000E-03
      1.661554E-01           3.030000E-04
      7.306632E-02          -2.120000E-04
Ba    S
      7.373883E+07          -6.000000E-06
      1.948030E+07          -6.000000E-06
      6.560104E+06          -1.700000E-05
      2.431082E+06          -2.600000E-05
      9.700524E+05          -5.300000E-05
      4.054772E+05          -9.200000E-05
      1.765748E+05          -1.710000E-04
      7.961590E+04          -3.040000E-04
      3.707150E+04          -5.550000E-04
      1.776087E+04          -1.010000E-03
      8.729003E+03          -1.872000E-03
      4.396491E+03          -3.430000E-03
      2.274365E+03          -6.066000E-03
      1.213066E+03          -9.780000E-03
      6.684086E+02          -1.340200E-02
      3.792848E+02          -1.290300E-02
      2.202329E+02          -1.113000E-03
      1.305990E+02           2.899600E-02
      8.554790E+01           4.808900E-02
      6.028551E+01           7.668400E-02
      3.771133E+01           7.540300E-02
      2.143992E+01          -5.298200E-02
      1.328996E+01          -2.993000E-01
      8.114876E+00          -2.863080E-01
      4.923861E+00           5.884500E-02
      2.866215E+00           5.090690E-01
      1.667258E+00           6.162360E-01
      9.233273E-01           3.151900E-02
      5.300178E-01          -5.940030E-01
      2.986773E-01          -6.012640E-01
      1.661554E-01          -1.840680E-01
      7.306632E-02          -8.675000E-03
Ba    S
      7.373883E+07          -2.000000E-06
      1.948030E+07          -2.000000E-06
      6.560104E+06          -5.000000E-06
      2.431082E+06          -7.000000E-06
      9.700524E+05          -1.500000E-05
      4.054772E+05          -2.600000E-05
      1.765748E+05          -4.800000E-05
      7.961590E+04          -8.500000E-05
      3.707150E+04          -1.550000E-04
      1.776087E+04          -2.820000E-04
      8.729003E+03          -5.220000E-04
      4.396491E+03          -9.560000E-04
      2.274365E+03          -1.691000E-03
      1.213066E+03          -2.728000E-03
      6.684086E+02          -3.737000E-03
      3.792848E+02          -3.602000E-03
      2.202329E+02          -3.040000E-04
      1.305990E+02           8.090000E-03
      8.554790E+01           1.350900E-02
      6.028551E+01           2.143200E-02
      3.771133E+01           2.125100E-02
      2.143992E+01          -1.501300E-02
      1.328996E+01          -8.567100E-02
      8.114876E+00          -8.217700E-02
      4.923861E+00           1.724400E-02
      2.866215E+00           1.550580E-01
      1.667258E+00           2.052710E-01
      9.233273E-01          -4.158000E-03
      5.300178E-01          -2.239360E-01
      2.986773E-01          -3.384260E-01
      1.661554E-01          -2.373230E-01
      7.306632E-02           2.121790E-01
Ba    S
      4.038782E-02           1.000000E+00
Ba    S
      2.210656E-02           1.000000E+00
Ba    S
      1.199998E-02           1.000000E+00
Ba    S
      6.510000E-03           1.000000E+00
Ba    P
      3.763920E+07           3.000000E-06
      8.287755E+06           7.000000E-06
      2.187164E+06           1.900000E-05
      6.493605E+05           4.600000E-05
      2.120636E+05           1.150000E-04
      7.507237E+04           2.890000E-04
      2.851880E+04           7.560000E-04
      1.157170E+04           2.031000E-03
      4.998457E+03           5.547000E-03
      2.287855E+03           1.500500E-02
      1.102121E+03           3.878500E-02
      5.545939E+02           9.111900E-02
      2.892994E+02           1.821890E-01
      1.552267E+02           2.869530E-01
      8.525158E+01           3.122270E-01
      4.760614E+01           1.950200E-01
      2.698777E+01           5.649600E-02
      1.556138E+01           5.883000E-03
      9.000006E+00           3.400000E-04
      5.078548E+00          -1.070000E-04
      2.804501E+00          -8.000000E-05
      1.545711E+00          -1.500000E-05
      8.386175E-01          -6.000000E-06
      4.441693E-01           3.000000E-06
      2.358408E-01          -2.000000E-06
      1.226916E-01           1.000000E-06
      6.729952E-02          -1.000000E-06
Ba    P
      3.763920E+07          -2.000000E-06
      8.287755E+06          -3.000000E-06
      2.187164E+06          -9.000000E-06
      6.493605E+05          -2.200000E-05
      2.120636E+05          -5.500000E-05
      7.507237E+04          -1.380000E-04
      2.851880E+04          -3.620000E-04
      1.157170E+04          -9.760000E-04
      4.998457E+03          -2.679000E-03
      2.287855E+03          -7.319000E-03
      1.102121E+03          -1.920200E-02
      5.545939E+02          -4.638800E-02
      2.892994E+02          -9.638200E-02
      1.552267E+02          -1.600200E-01
      8.525158E+01          -1.736760E-01
      4.760614E+01          -2.727400E-02
      2.698777E+01           2.585460E-01
      1.556138E+01           4.565670E-01
      9.000006E+00           3.191970E-01
      5.078548E+00           8.559800E-02
      2.804501E+00           5.948000E-03
      1.545711E+00           1.144000E-03
      8.386175E-01          -3.410000E-04
      4.441693E-01           1.920000E-04
      2.358408E-01          -1.420000E-04
      1.226916E-01           9.800000E-05
      6.729952E-02          -6.600000E-05
Ba    P
      3.763920E+07           1.000000E-06
      8.287755E+06           1.000000E-06
      2.187164E+06           4.000000E-06
      6.493605E+05           1.000000E-05
      2.120636E+05           2.500000E-05
      7.507237E+04           6.300000E-05
      2.851880E+04           1.650000E-04
      1.157170E+04           4.450000E-04
      4.998457E+03           1.222000E-03
      2.287855E+03           3.345000E-03
      1.102121E+03           8.805000E-03
      5.545939E+02           2.139500E-02
      2.892994E+02           4.482400E-02
      1.552267E+02           7.535900E-02
      8.525158E+01           8.164800E-02
      4.760614E+01          -7.800000E-05
      2.698777E+01          -1.707640E-01
      1.556138E+01          -3.381410E-01
      9.000006E+00          -2.039030E-01
      5.078548E+00           2.705860E-01
      2.804501E+00           5.660880E-01
      1.545711E+00           3.325590E-01
      8.386175E-01           6.296200E-02
      4.441693E-01           4.097000E-03
      2.358408E-01           2.050000E-04
      1.226916E-01           1.900000E-05
      6.729952E-02          -1.010000E-04
Ba    P
      8.287755E+06           1.000000E-06
      2.187164E+06           1.000000E-06
      6.493605E+05           4.000000E-06
      2.120636E+05           9.000000E-06
      7.507237E+04           2.200000E-05
      2.851880E+04           5.900000E-05
      1.157170E+04           1.590000E-04
      4.998457E+03           4.370000E-04
      2.287855E+03           1.197000E-03
      1.102121E+03           3.155000E-03
      5.545939E+02           7.666000E-03
      2.892994E+02           1.610700E-02
      1.552267E+02           2.709900E-02
      8.525158E+01           2.944200E-02
      4.760614E+01          -1.155000E-03
      2.698777E+01          -6.507200E-02
      1.556138E+01          -1.343580E-01
      9.000006E+00          -7.234200E-02
      5.078548E+00           1.405550E-01
      2.804501E+00           3.148610E-01
      1.545711E+00           2.060010E-01
      8.386175E-01          -2.045170E-01
      4.441693E-01          -5.027200E-01
      2.358408E-01          -3.935640E-01
      1.226916E-01          -1.119540E-01
      6.729952E-02          -9.205000E-03
Ba    P
      6.493605E+05          -1.000000E-06
      2.120636E+05          -2.000000E-06
      7.507237E+04          -5.000000E-06
      2.851880E+04          -1.400000E-05
      1.157170E+04          -3.900000E-05
      4.998457E+03          -1.060000E-04
      2.287855E+03          -2.900000E-04
      1.102121E+03          -7.650000E-04
      5.545939E+02          -1.859000E-03
      2.892994E+02          -3.908000E-03
      1.552267E+02          -6.575000E-03
      8.525158E+01          -7.146000E-03
      4.760614E+01           3.090000E-04
      2.698777E+01           1.587900E-02
      1.556138E+01           3.293400E-02
      9.000006E+00           1.748700E-02
      5.078548E+00          -3.524100E-02
      2.804501E+00          -8.020600E-02
      1.545711E+00          -5.290700E-02
      8.386175E-01           6.238000E-02
      4.441693E-01           1.486870E-01
      2.358408E-01           1.756830E-01
      1.226916E-01           6.508700E-02
      6.729952E-02          -2.570060E-01
Ba    P
      3.635648E-02           1.000000E+00
Ba    P
      2.006109E-02           1.000000E+00
Ba    P
      1.081972E-02           1.000000E+00
Ba    P
      5.840000E-03           1.000000E+00
Ba    D
      3.414526E+04           7.000000E-06
      8.451033E+03           5.200000E-05
      2.921844E+03           2.900000E-04
      1.204590E+03           1.366000E-03
      5.543348E+02           5.549000E-03
      2.752088E+02           1.899300E-02
      1.439212E+02           5.375500E-02
      7.815280E+01           1.245780E-01
      4.358028E+01           2.255690E-01
      2.462678E+01           3.084060E-01
      1.409955E+01           2.892020E-01
      8.083892E+00           1.572220E-01
      4.581708E+00           4.124500E-02
      2.564755E+00           3.617000E-03
      1.411732E+00           1.610000E-04
      7.452189E-01          -7.800000E-05
      3.522537E-01          -4.000000E-06
Ba    D
      3.414526E+04          -3.000000E-06
      8.451033E+03          -2.300000E-05
      2.921844E+03          -1.280000E-04
      1.204590E+03          -6.070000E-04
      5.543348E+02          -2.472000E-03
      2.752088E+02          -8.527000E-03
      1.439212E+02          -2.433100E-02
      7.815280E+01          -5.738100E-02
      4.358028E+01          -1.035520E-01
      2.462678E+01          -1.371270E-01
      1.409955E+01          -1.017180E-01
      8.083892E+00           7.418900E-02
      4.581708E+00           2.999390E-01
      2.564755E+00           3.988100E-01
      1.411732E+00           2.810570E-01
      7.452189E-01           9.745100E-02
      3.522537E-01           1.073100E-02
Ba    D
      3.414526E+04           1.000000E-06
      8.451033E+03           4.000000E-06
      2.921844E+03           2.400000E-05
      1.204590E+03           1.130000E-04
      5.543348E+02           4.600000E-04
      2.752088E+02           1.585000E-03
      1.439212E+02           4.531000E-03
      7.815280E+01           1.070000E-02
      4.358028E+01           1.931700E-02
      2.462678E+01           2.546200E-02
      1.409955E+01           1.804500E-02
      8.083892E+00          -1.884900E-02
      4.581708E+00          -6.481400E-02
      2.564755E+00          -8.784900E-02
      1.411732E+00          -4.916700E-02
      7.452189E-01           7.712200E-02
      3.522537E-01           2.479860E-01
Ba    D
      1.508476E-01           1.000000E+00
Ba    D
      6.183552E-02           1.000000E+00
Ba    D
      2.463192E-02           1.000000E+00
Ba    D
      9.850000E-03           1.000000E+00
Ba    F
      1.132299E+01           3.644400E-02
      3.398963E+00           5.892200E-02
      9.298620E-01           4.237000E-01
      4.901600E-01           5.299350E-01
Ba    F
      2.200130E-01           1.000000E+00
Ba    F
      7.490600E-02           1.000000E+00
Ba    F
      2.996000E-02           1.000000E+00
Ba    G
      1.333490E-01           1.000000E+00
Ba    G
      5.334000E-02           1.000000E+00
end
basis "Tl_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (172s,139p,58d,15f,2g) -> [10s,9p,7d,4f,2g]
Tl    S
      5.870473E+08           2.2721300E-04
      1.732168E+08           1.8468700E-04
      5.591761E+07           6.3801300E-04
      1.942908E+07           9.7342600E-04
      7.168112E+06           1.9900400E-03
      2.777168E+06           3.3709800E-03
      1.120014E+06           6.0946600E-03
      4.670051E+05           1.0420500E-02
      2.003160E+05           1.8128100E-02
      8.808086E+04           3.0978600E-02
      3.961348E+04           5.3157200E-02
      1.819966E+04           8.9835000E-02
      8.537620E+03           1.4764600E-01
      4.089585E+03           2.2349400E-01
      2.000875E+03           2.8165300E-01
      1.000214E+03           2.4227000E-01
      5.108895E+02           1.0298900E-01
      2.665258E+02           1.2043300E-02
      1.418483E+02           8.1539700E-04
      7.685043E+01          -4.9028600E-04
      4.224067E+01           3.4245800E-04
      2.343985E+01          -2.9986200E-04
      1.304485E+01           2.1490900E-04
      7.218363E+00          -1.3433800E-04
      3.928575E+00           8.0668500E-05
      2.075039E+00          -4.2623500E-05
      1.038229E+00           1.9955600E-05
      4.649560E-01          -1.0213300E-05
Tl    S
      5.870473E+08          -8.9341000E-05
      1.732168E+08          -7.2466000E-05
      5.591761E+07          -2.5053700E-04
      1.942908E+07          -3.8202400E-04
      7.168112E+06          -7.8190400E-04
      2.777168E+06          -1.3265900E-03
      1.120014E+06          -2.4065100E-03
      4.670051E+05          -4.1368400E-03
      2.003160E+05          -7.2587700E-03
      8.808086E+04          -1.2572300E-02
      3.961348E+04          -2.2026600E-02
      1.819966E+04          -3.8463300E-02
      8.537620E+03          -6.6596900E-02
      4.089585E+03          -1.0967800E-01
      2.000875E+03          -1.5727900E-01
      1.000214E+03          -1.5081800E-01
      5.108895E+02           2.3636300E-02
      2.665258E+02           3.7521400E-01
      1.418483E+02           5.0196900E-01
      7.685043E+01           2.1662600E-01
      4.224067E+01           2.1724500E-02
      2.343985E+01           8.3093400E-04
      1.304485E+01          -2.4573700E-04
      7.218363E+00          -7.9406900E-05
      3.928575E+00           3.4673900E-06
      2.075039E+00          -1.8458900E-06
      1.038229E+00           9.7821900E-06
      4.649560E-01          -3.3275500E-06
Tl    S
      5.870473E+08           4.2948300E-05
      1.732168E+08           3.4825000E-05
      5.591761E+07           1.2041700E-04
      1.942908E+07           1.8359900E-04
      7.168112E+06           3.7585700E-04
      2.777168E+06           6.3785800E-04
      1.120014E+06           1.1577700E-03
      4.670051E+05           1.9920100E-03
      2.003160E+05           3.5003800E-03
      8.808086E+04           6.0762200E-03
      3.961348E+04           1.0683500E-02
      1.819966E+04           1.8758700E-02
      8.537620E+03           3.2782200E-02
      4.089585E+03           5.4803300E-02
      2.000875E+03           8.0602400E-02
      1.000214E+03           7.9052400E-02
      5.108895E+02          -2.6395900E-02
      2.665258E+02          -3.1141200E-01
      1.418483E+02          -5.4363300E-01
      7.685043E+01          -1.6336700E-01
      4.224067E+01           6.6514600E-01
      2.343985E+01           6.0441600E-01
      1.304485E+01           1.1567400E-01
      7.218363E+00           1.0206200E-02
      3.928575E+00          -1.8987600E-03
      2.075039E+00           1.1835800E-03
      1.038229E+00          -7.0803600E-04
      4.649560E-01           3.3187200E-04
Tl    S
      5.870473E+08          -2.1596400E-05
      1.732168E+08          -1.7509800E-05
      5.591761E+07          -6.0548900E-05
      1.942908E+07          -9.2313800E-05
      7.168112E+06          -1.8899900E-04
      2.777168E+06          -3.2074900E-04
      1.120014E+06          -5.8231700E-04
      4.670051E+05          -1.0020100E-03
      2.003160E+05          -1.7616800E-03
      8.808086E+04          -3.0588900E-03
      3.961348E+04          -5.3852400E-03
      1.819966E+04          -9.4625100E-03
      8.537620E+03          -1.6589800E-02
      4.089585E+03          -2.7797200E-02
      2.000875E+03          -4.1240300E-02
      1.000214E+03          -4.0462000E-02
      5.108895E+02           1.5159000E-02
      2.665258E+02           1.8070600E-01
      1.418483E+02           3.3429300E-01
      7.685043E+01           1.0848900E-01
      4.224067E+01          -7.0091000E-01
      2.343985E+01          -8.3083400E-01
      1.304485E+01           2.8145100E-01
      7.218363E+00           9.2134100E-01
      3.928575E+00           3.5346700E-01
      2.075039E+00           1.2921600E-02
      1.038229E+00           4.6940900E-03
      4.649560E-01          -1.6285300E-03
Tl    S
      5.870473E+08           3.0304100E-06
      1.732168E+08           2.4568100E-06
      5.591761E+07           8.4962300E-06
      1.942908E+07           1.2952600E-05
      7.168112E+06           2.6521200E-05
      2.777168E+06           4.5005000E-05
      1.120014E+06           8.1721400E-05
      4.670051E+05           1.4060000E-04
      2.003160E+05           2.4729800E-04
      8.808086E+04           4.2926100E-04
      3.961348E+04           7.5645100E-04
      1.819966E+04           1.3283000E-03
      8.537620E+03           2.3339700E-03
      4.089585E+03           3.9058000E-03
      2.000875E+03           5.8276100E-03
      1.000214E+03           5.6786500E-03
      5.108895E+02          -2.1394000E-03
      2.665258E+02          -2.6607300E-02
      1.418483E+02          -4.9392200E-02
      7.685043E+01          -1.7842900E-02
      4.224067E+01           1.2563400E-01
      2.343985E+01           1.5110200E-01
      1.304485E+01          -6.6609300E-02
      7.218363E+00          -3.5101200E-01
      3.928575E+00          -1.7767700E-01
      2.075039E+00           3.8230000E-01
      1.038229E+00           5.0054200E-01
      4.649560E-01           8.1759400E-02
Tl    S
      5.870473E+08           9.5690200E-06
      1.732168E+08           7.7579200E-06
      5.591761E+07           2.6828200E-05
      1.942908E+07           4.0900900E-05
      7.168112E+06           8.3744100E-05
      2.777168E+06           1.4211400E-04
      1.120014E+06           2.5803900E-04
      4.670051E+05           4.4398100E-04
      2.003160E+05           7.8080800E-04
      8.808086E+04           1.3555300E-03
      3.961348E+04           2.3880300E-03
      1.819966E+04           4.1946000E-03
      8.537620E+03           7.3656400E-03
      4.089585E+03           1.2334000E-02
      2.000875E+03           1.8373800E-02
      1.000214E+03           1.7950400E-02
      5.108895E+02          -6.7960400E-03
      2.665258E+02          -8.3289800E-02
      1.418483E+02          -1.5497600E-01
      7.685043E+01          -5.4449800E-02
      4.224067E+01           3.8091900E-01
      2.343985E+01           4.6087500E-01
      1.304485E+01          -2.0273300E-01
      7.218363E+00          -9.2636900E-01
      3.928575E+00          -4.6654800E-01
      2.075039E+00           7.4957700E-01
      1.038229E+00           7.3169000E-01
      4.649560E-01           1.1650200E-01
Tl    S
      2.338843E-01           1.0000000E+00
Tl    S
      1.049618E-01           1.0000000E+00
Tl    S
      4.671905E-02           1.0000000E+00
Tl    S
      1.592700E-02           1.0000000E+00
Tl    P
      1.290849E+09           1.4890600E-06
      2.199031E+08           4.1469800E-06
      4.483260E+07           1.2330600E-05
      1.067315E+07           3.2000700E-05
      2.904059E+06           7.8409600E-05
      8.864349E+05           1.8320800E-04
      2.987152E+05           4.1943500E-04
      1.096205E+05           9.5637900E-04
      4.330207E+04           2.2038500E-03
      1.823304E+04           5.1607400E-03
      8.116623E+03           1.2258800E-02
      3.793673E+03           2.9061600E-02
      1.850864E+03           6.6599600E-02
      9.378392E+02           1.3876000E-01
      4.913245E+02           2.4239800E-01
      2.650127E+02           3.1679200E-01
      1.465582E+02           2.6071100E-01
      8.273500E+01           1.1028800E-01
      4.744464E+01           1.7423600E-02
      2.748325E+01           8.6294100E-04
      1.597594E+01          -1.2662300E-04
      9.246473E+00          -3.6782800E-05
      5.278843E+00          -4.2543700E-05
      2.939903E+00           1.6100300E-05
      1.576389E+00          -3.2368200E-06
      8.231722E-01           4.6669700E-06
      4.070450E-01          -9.1290200E-07
Tl    P
      1.290849E+09          -7.6794600E-07
      2.199031E+08          -2.1391300E-06
      4.483260E+07          -6.3625500E-06
      1.067315E+07          -1.6521600E-05
      2.904059E+06          -4.0520200E-05
      8.864349E+05          -9.4808400E-05
      2.987152E+05          -2.1751600E-04
      1.096205E+05          -4.9736700E-04
      4.330207E+04          -1.1508700E-03
      1.823304E+04          -2.7099200E-03
      8.116623E+03          -6.4920400E-03
      3.793673E+03          -1.5588200E-02
      1.850864E+03          -3.6483100E-02
      9.378392E+02          -7.8446400E-02
      4.913245E+02          -1.4301500E-01
      2.650127E+02          -1.9244400E-01
      1.465582E+02          -1.1519800E-01
      8.273500E+01           1.5719700E-01
      4.744464E+01           4.4988000E-01
      2.748325E+01           3.8965900E-01
      1.597594E+01           1.3156700E-01
      9.246473E+00           1.6640100E-02
      5.278843E+00           6.5816200E-04
      2.939903E+00           2.3386600E-04
      1.576389E+00          -1.8215300E-04
      8.231722E-01           3.7571700E-05
      4.070450E-01          -2.8372100E-05
Tl    P
      1.290849E+09           3.8416700E-07
      2.199031E+08           1.0701700E-06
      4.483260E+07           3.1832300E-06
      1.067315E+07           8.2671900E-06
      2.904059E+06           2.0279400E-05
      8.864349E+05           4.7467600E-05
      2.987152E+05           1.0894600E-04
      1.096205E+05           2.4932200E-04
      4.330207E+04           5.7732000E-04
      1.823304E+04           1.3617500E-03
      8.116623E+03           3.2669900E-03
      3.793673E+03           7.8748400E-03
      1.850864E+03           1.8507000E-02
      9.378392E+02           4.0155700E-02
      4.913245E+02           7.3904900E-02
      2.650127E+02           1.0055600E-01
      1.465582E+02           5.1113000E-02
      8.273500E+01          -1.2841800E-01
      4.744464E+01          -3.7298800E-01
      2.748325E+01          -2.9590700E-01
      1.597594E+01           1.7803900E-01
      9.246473E+00           5.5564200E-01
      5.278843E+00           4.1268300E-01
      2.939903E+00           9.2504500E-02
      1.576389E+00           6.8120300E-03
      8.231722E-01           6.8800300E-05
      4.070450E-01           2.0517000E-04
Tl    P
      1.290849E+09          -3.4131400E-08
      2.199031E+08          -9.5079800E-08
      4.483260E+07          -2.8282400E-07
      1.067315E+07          -7.3453700E-07
      2.904059E+06          -1.8019600E-06
      8.864349E+05          -4.2180100E-06
      2.987152E+05          -9.6829300E-06
      1.096205E+05          -2.2160800E-05
      4.330207E+04          -5.1335600E-05
      1.823304E+04          -1.2110200E-04
      8.116623E+03          -2.9077700E-04
      3.793673E+03          -7.0118800E-04
      1.850864E+03          -1.6508900E-03
      9.378392E+02          -3.5871500E-03
      4.913245E+02          -6.6269700E-03
      2.650127E+02          -9.0238500E-03
      1.465582E+02          -4.3885300E-03
      8.273500E+01           1.2838100E-02
      4.744464E+01           3.7746500E-02
      2.748325E+01           2.8461300E-02
      1.597594E+01          -2.8962000E-02
      9.246473E+00          -8.5763100E-02
      5.278843E+00          -7.4009000E-02
      2.939903E+00           7.0957400E-02
      1.576389E+00           1.6285300E-01
      8.231722E-01           1.3714300E-01
      4.070450E-01          -5.6092500E-02
Tl    P
      1.290849E+09           1.5833500E-07
      2.199031E+08           4.4108100E-07
      4.483260E+07           1.3120000E-06
      1.067315E+07           3.4075700E-06
      2.904059E+06           8.3589400E-06
      8.864349E+05           1.9567900E-05
      2.987152E+05           4.4913700E-05
      1.096205E+05           1.0281200E-04
      4.330207E+04           2.3807600E-04
      1.823304E+04           5.6188200E-04
      8.116623E+03           1.3481300E-03
      3.793673E+03           3.2534700E-03
      1.850864E+03           7.6503400E-03
      9.378392E+02           1.6642100E-02
      4.913245E+02           3.0675900E-02
      2.650127E+02           4.1891700E-02
      1.465582E+02           2.0258400E-02
      8.273500E+01          -5.8302500E-02
      4.744464E+01          -1.7321800E-01
      2.748325E+01          -1.2931400E-01
      1.597594E+01           1.2322800E-01
      9.246473E+00           3.7517200E-01
      5.278843E+00           3.0854100E-01
      2.939903E+00          -2.2402500E-01
      1.576389E+00          -5.6795600E-01
      8.231722E-01          -3.8397600E-01
      4.070450E-01          -8.8076800E-02
Tl    P
      1.641339E-01           1.0000000E+00
Tl    P
      6.701216E-02           1.0000000E+00
Tl    P
      2.735770E-02           1.0000000E+00
Tl    P
      8.712000E-03           1.0000000E+00
Tl    D
      1.179988E+05           8.1010500E-06
      3.331906E+04           4.0434700E-05
      1.109904E+04           2.0846300E-04
      4.250051E+03           9.5033100E-04
      1.826597E+03           3.8814700E-03
      8.620482E+02           1.3797200E-02
      4.379564E+02           4.0845500E-02
      2.352744E+02           1.0037700E-01
      1.315386E+02           1.9583100E-01
      7.547557E+01           2.9272400E-01
      4.391538E+01           3.0833000E-01
      2.565088E+01           1.9173000E-01
      1.491799E+01           6.1700300E-02
      8.584405E+00           7.9851300E-03
      4.866156E+00           7.9621900E-04
      2.710381E+00           1.6705700E-05
      1.455719E+00           4.6767600E-05
      7.607418E-01          -2.3774500E-05
Tl    D
      1.179988E+05           4.2373500E-06
      3.331906E+04           2.1194100E-05
      1.109904E+04           1.0931800E-04
      4.250051E+03           5.0008600E-04
      1.826597E+03           2.0490500E-03
      8.620482E+02           7.3378600E-03
      4.379564E+02           2.1918300E-02
      2.352744E+02           5.4807000E-02
      1.315386E+02           1.0770600E-01
      7.547557E+01           1.5764700E-01
      4.391538E+01           1.3833500E-01
      2.565088E+01          -4.3013400E-02
      1.491799E+01          -2.9330900E-01
      8.584405E+00          -4.1726200E-01
      4.866156E+00          -2.8594800E-01
      2.710381E+00          -8.7055200E-02
      1.455719E+00          -1.0235700E-02
      7.607418E-01          -2.8950700E-04
Tl    D
      1.179988E+05          -1.3899600E-06
      3.331906E+04          -6.9539600E-06
      1.109904E+04          -3.5877300E-05
      4.250051E+03          -1.6419900E-04
      1.826597E+03          -6.7331400E-04
      8.620482E+02          -2.4140700E-03
      4.379564E+02          -7.2243700E-03
      2.352744E+02          -1.8120100E-02
      1.315386E+02          -3.5658900E-02
      7.547557E+01          -5.2001600E-02
      4.391538E+01          -4.3380500E-02
      2.565088E+01           2.7180300E-02
      1.491799E+01           1.2227100E-01
      8.584405E+00           1.7285600E-01
      4.866156E+00           7.6843400E-02
      2.710381E+00          -1.6949700E-01
      1.455719E+00          -3.6209400E-01
      7.607418E-01          -3.6998000E-01
Tl    D
      3.848918E-01           1.0000000E+00
Tl    D
      1.849388E-01           1.0000000E+00
Tl    D
      7.601458E-02           1.0000000E+00
Tl    D
      2.578400E-02           1.0000000E+00
Tl    F
      1.658017E+03           1.1310500E-04
      5.839383E+02           9.9757400E-04
      2.538071E+02           5.5775600E-03
      1.249835E+02           2.2000200E-02
      6.593773E+01           6.2833100E-02
      3.603135E+01           1.4321300E-01
      2.000714E+01           2.4179500E-01
      1.115440E+01           3.0293800E-01
      6.167585E+00           2.8656800E-01
      3.314681E+00           1.8579800E-01
      1.671174E+00           6.9370800E-02
      7.456610E-01           9.5070700E-03
Tl    F
      4.292029E-01           1.0000000E+00
Tl    F
      1.702648E-01           1.0000000E+00
Tl    F
      6.087300E-02           1.0000000E+00
Tl    G
      3.693195E-01           1.0000000E+00
Tl    G
      1.529140E-01           1.0000000E+00
end
basis "Pb_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (172s,139p,58d,15f,2g) -> [10s,9p,7d,4f,2g]
Pb    S
      7.367751E+08           2.0740600E-04
      2.139538E+08           1.7928500E-04
      6.783648E+07           5.9851900E-04
      2.313402E+07           9.4407400E-04
      8.379893E+06           1.9220600E-03
      3.191202E+06           3.3062500E-03
      1.267082E+06           5.9861400E-03
      5.211690E+05           1.0297100E-02
      2.209790E+05           1.7918100E-02
      9.624724E+04           3.0638200E-02
      4.295880E+04           5.2466700E-02
      1.962023E+04           8.8488700E-02
      9.162423E+03           1.4517500E-01
      4.373662E+03           2.2013500E-01
      2.134010E+03           2.7996500E-01
      1.064314E+03           2.4643100E-01
      5.424900E+02           1.0945800E-01
      2.824337E+02           1.3886800E-02
      1.500129E+02           8.7114000E-04
      8.112363E+01          -5.0425000E-04
      4.452792E+01           3.6761300E-04
      2.469943E+01          -3.2877500E-04
      1.376458E+01           2.4141000E-04
      7.648308E+00          -1.5622800E-04
      4.197165E+00           9.6533400E-05
      2.248324E+00          -5.1878000E-05
      1.123589E+00           2.4924700E-05
      5.131797E-01          -1.4186600E-05
Pb    S
      7.367751E+08          -8.1987800E-05
      2.139538E+08          -7.0712700E-05
      6.783648E+07          -2.3622400E-04
      2.313402E+07          -3.7234000E-04
      8.379893E+06          -7.5883400E-04
      3.191202E+06          -1.3071800E-03
      1.267082E+06          -2.3743100E-03
      5.211690E+05          -4.1054100E-03
      2.209790E+05          -7.2040800E-03
      9.624724E+04          -1.2481000E-02
      4.295880E+04          -2.1813700E-02
      1.962023E+04          -3.7984500E-02
      9.162423E+03          -6.5567400E-02
      4.373662E+03          -1.0788500E-01
      2.134010E+03          -1.5552800E-01
      1.064314E+03          -1.5275100E-01
      5.424900E+02           1.2845100E-02
      2.824337E+02           3.6193600E-01
      1.500129E+02           5.0663500E-01
      8.112363E+01           2.2864900E-01
      4.452792E+01           2.4204200E-02
      2.469943E+01           9.6787600E-04
      1.376458E+01          -3.0617700E-04
      7.648308E+00          -3.6903000E-05
      4.197165E+00          -2.5420400E-05
      2.248324E+00           1.3201700E-05
      1.123589E+00           3.4081700E-06
      5.131797E-01          -1.2214100E-08
Pb    S
      7.367751E+08           3.9478600E-05
      2.139538E+08           3.4037900E-05
      6.783648E+07           1.1372100E-04
      2.313402E+07           1.7923000E-04
      8.379893E+06           3.6534200E-04
      3.191202E+06           6.2949400E-04
      1.267082E+06           1.1440200E-03
      5.211690E+05           1.9798200E-03
      2.209790E+05           3.4791500E-03
      9.624724E+04           6.0406100E-03
      4.295880E+04           1.0594900E-02
      1.962023E+04           1.8547800E-02
      9.162423E+03           3.2310400E-02
      4.373662E+03           5.3937200E-02
      2.134010E+03           7.9702400E-02
      1.064314E+03           8.0025300E-02
      5.424900E+02          -1.9532200E-02
      2.824337E+02          -2.9886900E-01
      1.500129E+02          -5.4325600E-01
      8.112363E+01          -1.8969400E-01
      4.452792E+01           6.4723800E-01
      2.469943E+01           6.2133800E-01
      1.376458E+01           1.2420000E-01
      7.648308E+00           1.1495000E-02
      4.197165E+00          -2.3175300E-03
      2.248324E+00           1.4574900E-03
      1.123589E+00          -8.7334800E-04
      5.131797E-01           4.6348800E-04
Pb    S
      7.367751E+08          -1.9915500E-05
      2.139538E+08          -1.7169000E-05
      6.783648E+07          -5.7365500E-05
      2.313402E+07          -9.0405400E-05
      8.379893E+06          -1.8429900E-04
      3.191202E+06          -3.1755300E-04
      1.267082E+06          -5.7723800E-04
      5.211690E+05          -9.9904300E-04
      2.209790E+05          -1.7565600E-03
      9.624724E+04          -3.0505700E-03
      4.295880E+04          -5.3574700E-03
      1.962023E+04          -9.3852600E-03
      9.162423E+03          -1.6402000E-02
      4.373662E+03          -2.7438400E-02
      2.134010E+03          -4.0898300E-02
      1.064314E+03          -4.1068500E-02
      5.424900E+02           1.1482000E-02
      2.824337E+02           1.7379100E-01
      1.500129E+02           3.3421700E-01
      8.112363E+01           1.2741200E-01
      4.452792E+01          -6.7958800E-01
      2.469943E+01          -8.5377200E-01
      1.376458E+01           2.4520700E-01
      7.648308E+00           9.2288800E-01
      4.197165E+00           3.7562000E-01
      2.248324E+00           1.6667200E-02
      1.123589E+00           5.0693200E-03
      5.131797E-01          -1.9938200E-03
Pb    S
      7.367751E+08          -3.0000600E-06
      2.139538E+08          -2.5861700E-06
      6.783648E+07          -8.6414700E-06
      2.313402E+07          -1.3617800E-05
      8.379893E+06          -2.7763200E-05
      3.191202E+06          -4.7833800E-05
      1.267082E+06          -8.6963800E-05
      5.211690E+05          -1.5049700E-04
      2.209790E+05          -2.6469900E-04
      9.624724E+04          -4.5960300E-04
      4.295880E+04          -8.0781400E-04
      1.962023E+04          -1.4145100E-03
      9.162423E+03          -2.4767900E-03
      4.373662E+03          -4.1399000E-03
      2.134010E+03          -6.2013100E-03
      1.064314E+03          -6.1949400E-03
      5.424900E+02           1.7497900E-03
      2.824337E+02           2.7444900E-02
      1.500129E+02           5.3107200E-02
      8.112363E+01           2.2133400E-02
      4.452792E+01          -1.3055600E-01
      2.469943E+01          -1.6842900E-01
      1.376458E+01           6.4305200E-02
      7.648308E+00           3.7453800E-01
      4.197165E+00           2.1433600E-01
      2.248324E+00          -4.0529700E-01
      1.123589E+00          -5.6396700E-01
      5.131797E-01          -9.2382100E-02
Pb    S
      7.367751E+08          -8.9349900E-06
      2.139538E+08          -7.7024400E-06
      6.783648E+07          -2.5736600E-05
      2.313402E+07          -4.0558200E-05
      8.379893E+06          -8.2685500E-05
      3.191202E+06          -1.4246500E-04
      1.267082E+06          -2.5899400E-04
      5.211690E+05          -4.4823000E-04
      2.209790E+05          -7.8827500E-04
      9.624724E+04          -1.3688700E-03
      4.295880E+04          -2.4053400E-03
      1.962023E+04          -4.2129600E-03
      9.162423E+03          -7.3724600E-03
      4.373662E+03          -1.2329700E-02
      2.134010E+03          -1.8442400E-02
      1.064314E+03          -1.8464900E-02
      5.424900E+02           5.2461200E-03
      2.824337E+02           8.1025200E-02
      1.500129E+02           1.5706600E-01
      8.112363E+01           6.3919000E-02
      4.452792E+01          -3.7297100E-01
      2.469943E+01          -4.8298500E-01
      1.376458E+01           1.8448200E-01
      7.648308E+00           9.2789900E-01
      4.197165E+00           5.2224800E-01
      2.248324E+00          -7.4258300E-01
      1.123589E+00          -7.6380800E-01
      5.131797E-01          -1.1732300E-01
Pb    S
      2.759396E-01           1.0000000E+00
Pb    S
      1.283488E-01           1.0000000E+00
Pb    S
      5.753464E-02           1.0000000E+00
Pb    S
      2.196325E-02           1.0000000E+00
Pb    P
      2.639754E+09           9.5933200E-07
      4.327256E+08           2.7754500E-06
      8.552766E+07           8.3373700E-06
      1.987606E+07           2.1787000E-05
      5.311692E+06           5.3113300E-05
      1.600786E+06           1.2224900E-04
      5.348452E+05           2.7260000E-04
      1.952075E+05           5.9953100E-04
      7.684365E+04           1.3213800E-03
      3.227218E+04           2.9504200E-03
      1.432603E+04           6.6987700E-03
      6.669272E+03           1.5416000E-02
      3.234294E+03           3.5344600E-02
      1.624594E+03           7.8128200E-02
      8.410446E+02           1.5630100E-01
      4.467674E+02           2.6081500E-01
      2.425233E+02           3.1893700E-01
      1.339999E+02           2.3582200E-01
      7.505139E+01           8.2702100E-02
      4.242297E+01           8.9687100E-03
      2.408154E+01           4.4652300E-04
      1.365008E+01          -2.3773900E-04
      7.674694E+00           3.1876500E-05
      4.246744E+00          -5.2548400E-05
      2.291438E+00           3.0027700E-05
      1.186325E+00          -9.1974300E-06
      5.877091E-01           5.4700100E-06
Pb    P
      2.639754E+09          -4.9586200E-07
      4.327256E+08          -1.4348300E-06
      8.552766E+07          -4.3112100E-06
      1.987606E+07          -1.1271500E-05
      5.311692E+06          -2.7496800E-05
      1.600786E+06          -6.3367600E-05
      5.348452E+05          -1.4151700E-04
      1.952075E+05          -3.1205800E-04
      7.684365E+04          -6.8974100E-04
      3.227218E+04          -1.5478300E-03
      1.432603E+04          -3.5335200E-03
      6.669272E+03          -8.2148200E-03
      3.234294E+03          -1.9082500E-02
      1.624594E+03          -4.3207500E-02
      8.410446E+02          -8.9217300E-02
      4.467674E+02          -1.5579000E-01
      2.425233E+02          -1.9183000E-01
      1.339999E+02          -7.5392200E-02
      7.505139E+01           2.4306600E-01
      4.242297E+01           4.9323200E-01
      2.408154E+01           3.2370100E-01
      1.365008E+01           7.5504600E-02
      7.674694E+00           5.4121900E-03
      4.246744E+00           3.9988800E-04
      2.291438E+00          -1.0721200E-04
      1.186325E+00          -3.0280800E-05
      5.877091E-01          -1.3535300E-05
Pb    P
      2.639754E+09          -2.4907200E-07
      4.327256E+08          -7.2074500E-07
      8.552766E+07          -2.1657000E-06
      1.987606E+07          -5.6628500E-06
      5.311692E+06          -1.3816400E-05
      1.600786E+06          -3.1851200E-05
      5.348452E+05          -7.1151500E-05
      1.952075E+05          -1.5701500E-04
      7.684365E+04          -3.4721300E-04
      3.227218E+04          -7.8031600E-04
      1.432603E+04          -1.7831000E-03
      6.669272E+03          -4.1571900E-03
      3.234294E+03          -9.6835000E-03
      1.624594E+03          -2.2066000E-02
      8.410446E+02          -4.5900100E-02
      4.467674E+02          -8.1193500E-02
      2.425233E+02          -9.9933000E-02
      1.339999E+02          -2.6152400E-02
      7.505139E+01           1.9437400E-01
      4.242297E+01           4.1727000E-01
      2.408154E+01           1.8600400E-01
      1.365008E+01          -3.7140200E-01
      7.674694E+00          -5.9014300E-01
      4.246744E+00          -2.5859500E-01
      2.291438E+00          -2.8474200E-02
      1.186325E+00          -2.1004800E-03
      5.877091E-01           1.8412500E-04
Pb    P
      2.639754E+09           2.6237600E-08
      4.327256E+08           7.5922600E-08
      8.552766E+07           2.2814700E-07
      1.987606E+07           5.9653700E-07
      5.311692E+06           1.4556200E-06
      1.600786E+06           3.3555800E-06
      5.348452E+05           7.4978700E-06
      1.952075E+05           1.6544300E-05
      7.684365E+04           3.6608100E-05
      3.227218E+04           8.2238700E-05
      1.432603E+04           1.8818900E-04
      6.669272E+03           4.3839300E-04
      3.234294E+03           1.0239600E-03
      1.624594E+03           2.3315600E-03
      8.410446E+02           4.8741300E-03
      4.467674E+02           8.6177700E-03
      2.425233E+02           1.0674300E-02
      1.339999E+02           2.2708700E-03
      7.505139E+01          -2.2765700E-02
      4.242297E+01          -5.0965800E-02
      2.408154E+01          -1.6735500E-02
      1.365008E+01           6.3216000E-02
      7.674694E+00           1.2406600E-01
      4.246744E+00           1.8408200E-02
      2.291438E+00          -1.6136800E-01
      1.186325E+00          -2.1807900E-01
      5.877091E-01          -2.7585100E-02
Pb    P
      2.639754E+09           1.0450000E-07
      4.327256E+08           3.0239500E-07
      8.552766E+07           9.0865500E-07
      1.987606E+07           2.3759900E-06
      5.311692E+06           5.7972200E-06
      1.600786E+06           1.3365400E-05
      5.348452E+05           2.9858800E-05
      1.952075E+05           6.5901600E-05
      7.684365E+04           1.4575300E-04
      3.227218E+04           3.2764600E-04
      1.432603E+04           7.4896500E-04
      6.669272E+03           1.7469800E-03
      3.234294E+03           4.0729600E-03
      1.624594E+03           9.2917600E-03
      8.410446E+02           1.9369200E-02
      4.467674E+02           3.4348700E-02
      2.425233E+02           4.2301100E-02
      1.339999E+02           9.6056900E-03
      7.505139E+01          -9.0082500E-02
      4.242297E+01          -1.9793000E-01
      2.408154E+01          -7.0906400E-02
      1.365008E+01           2.4153000E-01
      7.674694E+00           4.4240100E-01
      4.246744E+00           1.0460000E-01
      2.291438E+00          -4.8562200E-01
      1.186325E+00          -5.5119100E-01
      5.877091E-01          -1.9227100E-01
Pb    P
      2.339824E-01           1.0000000E+00
Pb    P
      9.753688E-02           1.0000000E+00
Pb    P
      3.976045E-02           1.0000000E+00
Pb    P
      1.498029E-02           1.0000000E+00
Pb    D
      1.319202E+05           7.8366600E-06
      3.380069E+04           4.4960500E-05
      1.080239E+04           2.3751000E-04
      4.099345E+03           1.0784800E-03
      1.773642E+03           4.2960400E-03
      8.465258E+02           1.4849500E-02
      4.340999E+02           4.3115300E-02
      2.342762E+02           1.0510000E-01
      1.309504E+02           2.0370800E-01
      7.488397E+01           3.0081100E-01
      4.339369E+01           3.0562100E-01
      2.528342E+01           1.7923500E-01
      1.470861E+01           5.3870700E-02
      8.482123E+00           6.3427000E-03
      4.808341E+00           7.1618600E-04
      2.651372E+00          -3.1996100E-05
      1.416806E+00           5.8447300E-05
      7.397125E-01          -3.4846200E-05
Pb    D
      1.319202E+05           4.1256800E-06
      3.380069E+04           2.3728700E-05
      1.080239E+04           1.2536700E-04
      4.099345E+03           5.7165300E-04
      1.773642E+03           2.2834100E-03
      8.465258E+02           7.9582600E-03
      4.340999E+02           2.3303800E-02
      2.342762E+02           5.7861200E-02
      1.309504E+02           1.1269100E-01
      7.488397E+01           1.6267100E-01
      4.339369E+01           1.3158300E-01
      2.528342E+01          -6.5546500E-02
      1.470861E+01          -3.1317800E-01
      8.482123E+00          -4.1602500E-01
      4.808341E+00          -2.6674200E-01
      2.651372E+00          -7.3291600E-02
      1.416806E+00          -6.5935200E-03
      7.397125E-01          -4.0435700E-04
Pb    D
      1.319202E+05          -1.4157000E-06
      3.380069E+04          -8.1443900E-06
      1.080239E+04          -4.3042800E-05
      4.099345E+03          -1.9636200E-04
      1.773642E+03          -7.8501800E-04
      8.465258E+02          -2.7393400E-03
      4.340999E+02          -8.0374800E-03
      2.342762E+02          -2.0019400E-02
      1.309504E+02          -3.9035100E-02
      7.488397E+01          -5.6105500E-02
      4.339369E+01          -4.2394500E-02
      2.528342E+01           3.8031500E-02
      1.470861E+01           1.3656300E-01
      8.482123E+00           1.8162900E-01
      4.808341E+00           5.7412500E-02
      2.651372E+00          -2.1359500E-01
      1.416806E+00          -3.9420600E-01
      7.397125E-01          -3.5847600E-01
Pb    D
      3.786595E-01           1.0000000E+00
Pb    D
      2.019940E-01           1.0000000E+00
Pb    D
      1.185054E-01           1.0000000E+00
Pb    D
      4.799100E-02           1.0000000E+00
Pb    F
      1.792216E+03           1.0038500E-04
      6.515456E+02           8.2536200E-04
      2.882803E+02           4.4900200E-03
      1.430631E+02           1.8145900E-02
      7.554035E+01           5.4098500E-02
      4.114017E+01           1.2956700E-01
      2.272567E+01           2.3228100E-01
      1.261014E+01           3.0358400E-01
      6.959173E+00           2.9672500E-01
      3.753478E+00           1.9783300E-01
      1.915606E+00           7.6522600E-02
      8.760240E-01           1.1130200E-02
Pb    F
      4.441821E-01           1.0000000E+00
Pb    F
      1.796526E-01           1.0000000E+00
Pb    F
      7.270300E-02           1.0000000E+00
Pb    G
      3.889325E-01           1.0000000E+00
Pb    G
      1.754710E-01           1.0000000E+00
end
basis "Bi_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (172s,139p,58d,15f,2g) -> [10s,9p,7d,4f,2g]
Bi    S
      6.846891E+08           2.3299500E-04
      2.004098E+08           1.9397600E-04
      6.416877E+07           6.5825900E-04
      2.211807E+07           1.0128500E-03
      8.098401E+06           2.0605100E-03
      3.115691E+06           3.4941000E-03
      1.248664E+06           6.2951800E-03
      5.177966E+05           1.0731900E-02
      2.210699E+05           1.8573800E-02
      9.683509E+04           3.1544000E-02
      4.341914E+04           5.3706200E-02
      1.990299E+04           8.9967200E-02
      9.322079E+03           1.4657500E-01
      4.461208E+03           2.2054100E-01
      2.181923E+03           2.7840000E-01
      1.090897E+03           2.4370100E-01
      5.575696E+02           1.0832700E-01
      2.912025E+02           1.3966900E-02
      1.552293E+02           8.7206300E-04
      8.427951E+01          -4.9466600E-04
      4.645240E+01           3.6129900E-04
      2.586868E+01          -3.2330600E-04
      1.446212E+01           2.3525400E-04
      8.049252E+00          -1.5010100E-04
      4.413447E+00           9.1655500E-05
      2.353335E+00          -4.9053300E-05
      1.181473E+00           2.3236300E-05
      4.766555E-01          -1.9231000E-05
Bi    S
      6.846891E+08          -9.2572200E-05
      2.004098E+08          -7.6888400E-05
      6.416877E+07          -2.6112300E-04
      2.211807E+07          -4.0147700E-04
      8.098401E+06          -8.1764200E-04
      3.115691E+06          -1.3885100E-03
      1.248664E+06          -2.5098200E-03
      5.177966E+05          -4.3012500E-03
      2.210699E+05          -7.5076500E-03
      9.683509E+04          -1.2920600E-02
      4.341914E+04          -2.2455000E-02
      1.990299E+04          -3.8843900E-02
      9.322079E+03          -6.6586800E-02
      4.461208E+03          -1.0867700E-01
      2.181923E+03          -1.5517400E-01
      1.090897E+03          -1.5028100E-01
      5.575696E+02           1.5954000E-02
      2.912025E+02           3.6043100E-01
      1.552293E+02           5.0287600E-01
      8.427951E+01           2.3017200E-01
      4.645240E+01           2.5388400E-02
      2.586868E+01           9.9497300E-04
      1.446212E+01          -2.9795100E-04
      8.049252E+00          -3.8521400E-05
      4.413447E+00          -2.8390600E-05
      2.353335E+00           1.6026300E-05
      1.181473E+00           2.2255500E-06
      4.766555E-01           9.1109500E-07
Bi    S
      6.846891E+08           4.4645400E-05
      2.004098E+08           3.7068300E-05
      6.416877E+07           1.2590600E-04
      2.211807E+07           1.9355900E-04
      8.098401E+06           3.9427700E-04
      3.115691E+06           6.6972200E-04
      1.248664E+06           1.2112500E-03
      5.177966E+05           2.0776100E-03
      2.210699E+05           3.6317100E-03
      9.683509E+04           6.2638000E-03
      4.341914E+04           1.0925100E-02
      1.990299E+04           1.9000800E-02
      9.322079E+03           3.2872700E-02
      4.461208E+03           5.4431000E-02
      2.181923E+03           7.9646000E-02
      1.090897E+03           7.8690100E-02
      5.575696E+02          -2.1807800E-02
      2.912025E+02          -2.9868500E-01
      1.552293E+02          -5.3898400E-01
      8.427951E+01          -1.9458400E-01
      4.645240E+01           6.3409000E-01
      2.586868E+01           6.2809700E-01
      1.446212E+01           1.3220900E-01
      8.049252E+00           1.1712300E-02
      4.413447E+00          -2.0463200E-03
      2.353335E+00           1.3003200E-03
      1.181473E+00          -7.9393400E-04
      4.766555E-01           6.1155100E-04
Bi    S
      6.846891E+08          -2.2593100E-05
      2.004098E+08          -1.8756500E-05
      6.416877E+07          -6.3712400E-05
      2.211807E+07          -9.7940900E-05
      8.098401E+06          -1.9952400E-04
      3.115691E+06          -3.3891300E-04
      1.248664E+06          -6.1309100E-04
      5.177966E+05          -1.0517100E-03
      2.210699E+05          -1.8393900E-03
      9.683509E+04          -3.1733700E-03
      4.341914E+04          -5.5420300E-03
      1.990299E+04          -9.6455200E-03
      9.322079E+03          -1.6741100E-02
      4.461208E+03          -2.7780300E-02
      2.181923E+03          -4.0998500E-02
      1.090897E+03          -4.0493800E-02
      5.575696E+02           1.2813000E-02
      2.912025E+02           1.7436400E-01
      1.552293E+02           3.3276000E-01
      8.427951E+01           1.3097500E-01
      4.645240E+01          -6.6656900E-01
      2.586868E+01          -8.6378900E-01
      1.446212E+01           2.1557000E-01
      8.049252E+00           9.3125800E-01
      4.413447E+00           3.8884000E-01
      2.353335E+00           1.7121300E-02
      1.181473E+00           5.1727200E-03
      4.766555E-01          -3.0615500E-03
Bi    S
      6.846891E+08          -3.6016300E-06
      2.004098E+08          -2.9898400E-06
      6.416877E+07          -1.0156500E-05
      2.211807E+07          -1.5612100E-05
      8.098401E+06          -3.1807300E-05
      3.115691E+06          -5.4024400E-05
      1.248664E+06          -9.7745900E-05
      5.177966E+05          -1.6765700E-04
      2.210699E+05          -2.9333300E-04
      9.683509E+04          -5.0594400E-04
      4.341914E+04          -8.8436200E-04
      1.990299E+04          -1.5383800E-03
      9.322079E+03          -2.6755300E-03
      4.461208E+03          -4.4354800E-03
      2.181923E+03          -6.5802200E-03
      1.090897E+03          -6.4605700E-03
      5.575696E+02           2.0662200E-03
      2.912025E+02           2.9178700E-02
      1.552293E+02           5.5975600E-02
      8.427951E+01           2.4150300E-02
      4.645240E+01          -1.3607600E-01
      2.586868E+01          -1.8079100E-01
      1.446212E+01           5.9802600E-02
      8.049252E+00           4.0325000E-01
      4.413447E+00           2.3452500E-01
      2.353335E+00          -4.4374600E-01
      1.181473E+00          -6.1229300E-01
      4.766555E-01          -1.2062400E-01
Bi    S
      6.846891E+08          -1.0259900E-05
      2.004098E+08          -8.5171900E-06
      6.416877E+07          -2.8932600E-05
      2.211807E+07          -4.4474400E-05
      8.098401E+06          -9.0607800E-05
      3.115691E+06          -1.5390100E-04
      1.248664E+06          -2.7843700E-04
      5.177966E+05          -4.7760900E-04
      2.210699E+05          -8.3553500E-04
      9.683509E+04          -1.4413000E-03
      4.341914E+04          -2.5186900E-03
      1.990299E+04          -4.3823900E-03
      9.322079E+03          -7.6176000E-03
      4.461208E+03          -1.2634300E-02
      2.181923E+03          -1.8718900E-02
      1.090897E+03          -1.8413900E-02
      5.575696E+02           5.9028800E-03
      2.912025E+02           8.2401300E-02
      1.552293E+02           1.5819900E-01
      8.427951E+01           6.6868300E-02
      4.645240E+01          -3.7160900E-01
      2.586868E+01          -4.9407400E-01
      1.446212E+01           1.6333800E-01
      8.049252E+00           9.5280900E-01
      4.413447E+00           5.3853100E-01
      2.353335E+00          -7.5975500E-01
      1.181473E+00          -7.7602700E-01
      4.766555E-01          -1.2606400E-01
Bi    S
      3.225247E-01           1.0000000E+00
Bi    S
      1.520925E-01           1.0000000E+00
Bi    S
      6.925299E-02           1.0000000E+00
Bi    S
      2.662484E-02           1.0000000E+00
Bi    P
      2.678083E+09           1.0068500E-06
      4.507731E+08           2.8312600E-06
      9.081268E+07           8.4230200E-06
      2.137977E+07           2.1798900E-05
      5.759090E+06           5.2848100E-05
      1.742392E+06           1.2112400E-04
      5.825813E+05           2.6923700E-04
      2.122765E+05           5.9044500E-04
      8.328103E+04           1.2979000E-03
      3.481849E+04           2.8908300E-03
      1.537728E+04           6.5503500E-03
      7.120596E+03           1.5057200E-02
      3.435297E+03           3.4532100E-02
      1.717355E+03           7.6513500E-02
      8.854043E+02           1.5382200E-01
      4.687667E+02           2.5851900E-01
      2.538471E+02           3.1946200E-01
      1.400499E+02           2.3978000E-01
      7.840068E+01           8.5980400E-02
      4.433641E+01           9.6847100E-03
      2.520208E+01           4.7155900E-04
      1.431668E+01          -2.3753600E-04
      8.073201E+00           3.1343300E-05
      4.483272E+00          -5.3869500E-05
      2.429008E+00           3.1681100E-05
      1.267015E+00          -1.0059100E-05
      6.369447E-01           6.1989600E-06
Bi    P
      2.678083E+09          -5.2159900E-07
      4.507731E+08          -1.4670000E-06
      9.081268E+07          -4.3653400E-06
      2.137977E+07          -1.1303000E-05
      5.759090E+06          -2.7421000E-05
      1.742392E+06          -6.2924000E-05
      5.825813E+05          -1.4008100E-04
      2.122765E+05          -3.0800000E-04
      8.328103E+04          -6.7897300E-04
      3.481849E+04          -1.5197900E-03
      1.537728E+04          -3.4626400E-03
      7.120596E+03          -8.0393400E-03
      3.435297E+03          -1.8678400E-02
      1.717355E+03          -4.2372900E-02
      8.854043E+02          -8.7898700E-02
      4.687667E+02          -1.5449700E-01
      2.538471E+02          -1.9273100E-01
      1.400499E+02          -8.0843400E-02
      7.840068E+01           2.3477800E-01
      4.433641E+01           4.9134000E-01
      2.520208E+01           3.3038900E-01
      1.431668E+01           7.9585700E-02
      8.073201E+00           5.8830000E-03
      4.483272E+00           4.0306800E-04
      2.429008E+00          -1.1151800E-04
      1.267015E+00          -3.3732400E-05
      6.369447E-01          -1.2890700E-05
Bi    P
      2.678083E+09          -2.6305800E-07
      4.507731E+08          -7.3987900E-07
      9.081268E+07          -2.2017600E-06
      2.137977E+07          -5.7016300E-06
      5.759090E+06          -1.3833900E-05
      1.742392E+06          -3.1755800E-05
      5.825813E+05          -7.0714400E-05
      2.122765E+05          -1.5559600E-04
      8.328103E+04          -3.4317600E-04
      3.481849E+04          -7.6924900E-04
      1.537728E+04          -1.7544100E-03
      7.120596E+03          -4.0845300E-03
      3.435297E+03          -9.5164600E-03
      1.717355E+03          -2.1723000E-02
      8.854043E+02          -4.5397800E-02
      4.687667E+02          -8.0811300E-02
      2.538471E+02          -1.0087400E-01
      1.400499E+02          -2.9597200E-02
      7.840068E+01           1.8926600E-01
      4.433641E+01           4.1724800E-01
      2.520208E+01           1.9786100E-01
      1.431668E+01          -3.5983600E-01
      8.073201E+00          -5.9388000E-01
      4.483272E+00          -2.6712500E-01
      2.429008E+00          -3.0479400E-02
      1.267015E+00          -2.1852600E-03
      6.369447E-01           2.2758200E-04
Bi    P
      2.678083E+09          -3.1077100E-08
      4.507731E+08          -8.7405600E-08
      9.081268E+07          -2.6011900E-07
      2.137977E+07          -6.7358500E-07
      5.759090E+06          -1.6345000E-06
      1.742392E+06          -3.7519500E-06
      5.825813E+05          -8.3568700E-06
      2.122765E+05          -1.8387000E-05
      8.328103E+04          -4.0575700E-05
      3.481849E+04          -9.0929300E-05
      1.537728E+04          -2.0763400E-04
      7.120596E+03          -4.8313900E-04
      3.435297E+03          -1.1283700E-03
      1.717355E+03          -2.5748300E-03
      8.854043E+02          -5.4053300E-03
      4.687667E+02          -9.6237300E-03
      2.538471E+02          -1.2079200E-02
      1.400499E+02          -2.9822300E-03
      7.840068E+01           2.4961900E-02
      4.433641E+01           5.7242500E-02
      2.520208E+01           2.0718600E-02
      1.431668E+01          -6.9707200E-02
      8.073201E+00          -1.4112700E-01
      4.483272E+00          -2.4232500E-02
      2.429008E+00           1.8374000E-01
      1.267015E+00           2.4847400E-01
      6.369447E-01           2.8670700E-02
Bi    P
      2.678083E+09           1.1229300E-07
      4.507731E+08           3.1583700E-07
      9.081268E+07           9.3989600E-07
      2.137977E+07           2.4339900E-06
      5.759090E+06           5.9058300E-06
      1.742392E+06           1.3557800E-05
      5.825813E+05           3.0193000E-05
      2.122765E+05           6.6445600E-05
      8.328103E+04           1.4657100E-04
      3.481849E+04           3.2863800E-04
      1.537728E+04           7.4977000E-04
      7.120596E+03           1.7464300E-03
      3.435297E+03           4.0725100E-03
      1.717355E+03           9.3071900E-03
      8.854043E+02           1.9491400E-02
      4.687667E+02           3.4785000E-02
      2.538471E+02           4.3452900E-02
      1.400499E+02           1.1292000E-02
      7.840068E+01          -8.9402900E-02
      4.433641E+01          -2.0164600E-01
      2.520208E+01          -7.8615200E-02
      1.431668E+01           2.3991900E-01
      8.073201E+00           4.5488100E-01
      4.483272E+00           1.1681100E-01
      2.429008E+00          -4.9077800E-01
      1.267015E+00          -5.5771400E-01
      6.369447E-01          -1.8757500E-01
Bi    P
      2.694638E-01           1.0000000E+00
Bi    P
      1.167582E-01           1.0000000E+00
Bi    P
      4.904397E-02           1.0000000E+00
Bi    P
      1.863953E-02           1.0000000E+00
Bi    D
      1.302063E+05           8.2966700E-06
      3.521393E+04           4.3508700E-05
      1.160318E+04           2.2040800E-04
      4.478801E+03           9.6742100E-04
      1.957879E+03           3.7641400E-03
      9.417886E+02           1.2818800E-02
      4.865967E+02           3.7024400E-02
      2.646979E+02           9.0743200E-02
      1.491560E+02           1.8094200E-01
      8.594521E+01           2.8068300E-01
      5.013327E+01           3.1303600E-01
      2.937994E+01           2.1066500E-01
      1.720164E+01           7.5241700E-02
      1.002181E+01           1.1584900E-02
      5.793554E+00           9.8987700E-04
      3.316250E+00           8.4305000E-05
      1.842372E+00           2.7843700E-05
      1.005182E+00          -1.4452900E-05
Bi    D
      1.302063E+05           4.3980500E-06
      3.521393E+04           2.3100200E-05
      1.160318E+04           1.1716100E-04
      4.478801E+03           5.1573600E-04
      1.957879E+03           2.0142500E-03
      9.417886E+02           6.9051400E-03
      4.865967E+02           2.0125400E-02
      2.646979E+02           5.0115600E-02
      1.491560E+02           1.0094100E-01
      8.594521E+01           1.5392500E-01
      5.013327E+01           1.5007400E-01
      2.937994E+01          -1.1422200E-02
      1.720164E+01          -2.6178100E-01
      1.002181E+01          -4.1016700E-01
      5.793554E+00          -3.1109700E-01
      3.316250E+00          -1.1144600E-01
      1.842372E+00          -1.6934700E-02
      1.005182E+00          -4.2442600E-04
Bi    D
      1.302063E+05          -1.5692800E-06
      3.521393E+04          -8.2435200E-06
      1.160318E+04          -4.1828900E-05
      4.478801E+03          -1.8418500E-04
      1.957879E+03          -7.2006700E-04
      9.417886E+02          -2.4709900E-03
      4.865967E+02          -7.2166900E-03
      2.646979E+02          -1.8021800E-02
      1.491560E+02          -3.6376200E-02
      8.594521E+01          -5.5284400E-02
      5.013327E+01          -5.2006000E-02
      2.937994E+01           1.7004400E-02
      1.720164E+01           1.2124800E-01
      1.002181E+01           1.8740800E-01
      5.793554E+00           1.0998200E-01
      3.316250E+00          -1.3726200E-01
      1.842372E+00          -3.5470500E-01
      1.005182E+00          -3.8394300E-01
Bi    D
      5.345301E-01           1.0000000E+00
Bi    D
      2.725445E-01           1.0000000E+00
Bi    D
      1.240881E-01           1.0000000E+00
Bi    D
      4.792526E-02           1.0000000E+00
Bi    F
      1.929200E+03           9.2417100E-05
      7.040071E+02           7.5043200E-04
      3.126472E+02           4.0517500E-03
      1.557247E+02           1.6451000E-02
      8.252760E+01           4.9695600E-02
      4.511190E+01           1.2090700E-01
      2.501345E+01           2.2320600E-01
      1.393309E+01           3.0030200E-01
      7.719803E+00           3.0248300E-01
      4.180875E+00           2.0810800E-01
      2.142905E+00           8.2448700E-02
      9.844040E-01           1.1861700E-02
Bi    F
      4.803418E-01           1.0000000E+00
Bi    F
      2.006130E-01           1.0000000E+00
Bi    F
      8.092394E-02           1.0000000E+00
Bi    G
      4.203000E-01           1.0000000E+00
Bi    G
      1.795272E-01           1.0000000E+00
end
basis "Po_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (172s,139p,58d,15f,2g) -> [10s,9p,7d,4f,2g]
Po    S
      8.272029E+08           2.1909400E-04
      2.414412E+08           1.8436300E-04
      7.696706E+07           6.2143200E-04
      2.637537E+07           9.6439700E-04
      9.589129E+06           1.9612400E-03
      3.659371E+06           3.3468300E-03
      1.453467E+06           6.0423000E-03
      5.969772E+05           1.0347100E-02
      2.523454E+05           1.7947800E-02
      1.094188E+05           3.0566400E-02
      4.856847E+04           5.2128700E-02
      2.204532E+04           8.7526100E-02
      1.022892E+04           1.4309100E-01
      4.852404E+03           2.1692400E-01
      2.354306E+03           2.7795800E-01
      1.168713E+03           2.5000400E-01
      5.936617E+02           1.1605500E-01
      3.084486E+02           1.6059300E-02
      1.637335E+02           9.4557800E-04
      8.860644E+01          -5.1441300E-04
      4.871736E+01           3.8938700E-04
      2.708064E+01          -3.5087900E-04
      1.511811E+01           2.5697100E-04
      8.403081E+00          -1.6523100E-04
      4.599872E+00           1.0117400E-04
      2.446809E+00          -5.4701000E-05
      1.233519E+00           2.6376500E-05
      5.223261E-01          -1.7874400E-05
Po    S
      8.272029E+08          -8.7522800E-05
      2.414412E+08          -7.3463000E-05
      7.696706E+07          -2.4780600E-04
      2.637537E+07          -3.8420700E-04
      9.589129E+06          -7.8210000E-04
      3.659371E+06          -1.3362700E-03
      1.453467E+06          -2.4198400E-03
      5.969772E+05          -4.1643100E-03
      2.523454E+05          -7.2821100E-03
      1.094188E+05          -1.2560400E-02
      4.856847E+04          -2.1849600E-02
      2.204532E+04          -3.7839600E-02
      1.022892E+04          -6.4976600E-02
      4.852404E+03          -1.0653000E-01
      2.354306E+03          -1.5382600E-01
      1.168713E+03          -1.5354400E-01
      5.936617E+02           4.4934300E-03
      3.084486E+02           3.4850800E-01
      1.637335E+02           5.0774900E-01
      8.860644E+01           2.4077000E-01
      4.871736E+01           2.7644200E-02
      2.708064E+01           1.0690500E-03
      1.511811E+01          -3.2008000E-04
      8.403081E+00          -2.1397100E-05
      4.599872E+00          -4.0199100E-05
      2.446809E+00           2.3557200E-05
      1.233519E+00          -1.2375300E-06
      5.223261E-01           3.0022400E-06
Po    S
      8.272029E+08           4.2277300E-05
      2.414412E+08           3.5472200E-05
      7.696706E+07           1.1967100E-04
      2.637537E+07           1.8551600E-04
      9.589129E+06           3.7770900E-04
      3.659371E+06           6.4547700E-04
      1.453467E+06           1.1695200E-03
      5.969772E+05           2.0142600E-03
      2.523454E+05           3.5273200E-03
      1.094188E+05           6.0967100E-03
      4.856847E+04           1.0642800E-02
      2.204532E+04           1.8526700E-02
      1.022892E+04           3.2099600E-02
      4.852404E+03           5.3360300E-02
      2.354306E+03           7.8910600E-02
      1.168713E+03           8.0364100E-02
      5.936617E+02          -1.4584500E-02
      3.084486E+02          -2.8746800E-01
      1.637335E+02          -5.3935900E-01
      8.860644E+01          -2.1583100E-01
      4.871736E+01           6.2071600E-01
      2.708064E+01           6.4084300E-01
      1.511811E+01           1.3807300E-01
      8.403081E+00           1.2287900E-02
      4.599872E+00          -2.2349500E-03
      2.446809E+00           1.4058800E-03
      1.233519E+00          -8.6552900E-04
      5.223261E-01           5.5216600E-04
Po    S
      8.272029E+08          -2.1461200E-05
      2.414412E+08          -1.8004600E-05
      7.696706E+07          -6.0745400E-05
      2.637537E+07          -9.4162000E-05
      9.589129E+06          -1.9173100E-04
      3.659371E+06          -3.2765200E-04
      1.453467E+06          -5.9378900E-04
      5.969772E+05          -1.0227700E-03
      2.523454E+05          -1.7919700E-03
      1.094188E+05          -3.0981000E-03
      4.856847E+04          -5.4149900E-03
      2.204532E+04          -9.4328000E-03
      1.022892E+04          -1.6394500E-02
      4.852404E+03          -2.7310000E-02
      2.354306E+03          -4.0724200E-02
      1.168713E+03          -4.1473500E-02
      5.936617E+02           8.9402900E-03
      3.084486E+02           1.6811400E-01
      1.637335E+02           3.3331700E-01
      8.860644E+01           1.4603500E-01
      4.871736E+01          -6.5150500E-01
      2.708064E+01          -8.8191600E-01
      1.511811E+01           1.9838400E-01
      8.403081E+00           9.4045100E-01
      4.599872E+00           3.9290800E-01
      2.446809E+00           1.6381900E-02
      1.233519E+00           5.3861300E-03
      5.223261E-01          -2.6864800E-03
Po    S
      8.272029E+08           3.5980600E-06
      2.414412E+08           3.0183300E-06
      7.696706E+07           1.0184100E-05
      2.637537E+07           1.5785500E-05
      9.589129E+06           3.2144800E-05
      3.659371E+06           5.4928800E-05
      1.453467E+06           9.9561100E-05
      5.969772E+05           1.7146900E-04
      2.523454E+05           3.0053700E-04
      1.094188E+05           5.1947300E-04
      4.856847E+04           9.0872500E-04
      2.204532E+04           1.5822000E-03
      1.022892E+04           2.7554300E-03
      4.852404E+03           4.5855600E-03
      2.354306E+03           6.8734100E-03
      1.168713E+03           6.9594300E-03
      5.936617E+02          -1.5107600E-03
      3.084486E+02          -2.9604900E-02
      1.637335E+02          -5.8959900E-02
      8.860644E+01          -2.8257400E-02
      4.871736E+01           1.4024800E-01
      2.708064E+01           1.9485800E-01
      1.511811E+01          -5.8113300E-02
      8.403081E+00          -4.3440000E-01
      4.599872E+00          -2.4767100E-01
      2.446809E+00           4.8836400E-01
      1.233519E+00           6.5687000E-01
      5.223261E-01          -1.0104600E-02
Po    S
      8.272029E+08          -9.8606100E-06
      2.414412E+08          -8.2719700E-06
      7.696706E+07          -2.7909900E-05
      2.637537E+07          -4.3261500E-05
      9.589129E+06          -8.8093400E-05
      3.659371E+06          -1.5053700E-04
      1.453467E+06          -2.7284300E-04
      5.969772E+05          -4.6992800E-04
      2.523454E+05          -8.2356000E-04
      1.094188E+05          -1.4236700E-03
      4.856847E+04          -2.4898300E-03
      2.204532E+04          -4.3361500E-03
      1.022892E+04          -7.5471800E-03
      4.852404E+03          -1.2566200E-02
      2.354306E+03          -1.8809600E-02
      1.168713E+03          -1.9084600E-02
      5.936617E+02           4.1698300E-03
      3.084486E+02           8.0385900E-02
      1.637335E+02           1.6031600E-01
      8.860644E+01           7.5181000E-02
      4.871736E+01          -3.6767400E-01
      2.708064E+01          -5.1171200E-01
      1.511811E+01           1.5377200E-01
      8.403081E+00           9.7940100E-01
      4.599872E+00           5.4676700E-01
      2.446809E+00          -7.9562700E-01
      1.233519E+00          -7.6403600E-01
      5.223261E-01          -9.7881300E-02
Po    S
      3.145385E-01           1.0000000E+00
Po    S
      1.569519E-01           1.0000000E+00
Po    S
      7.345050E-02           1.0000000E+00
Po    S
      2.739488E-02           1.0000000E+00
Po    P
      2.946636E+09           1.0113200E-06
      4.817193E+08           2.9265100E-06
      9.509824E+07           8.7615200E-06
      2.209394E+07           2.2806100E-05
      5.905089E+06           5.5328900E-05
      1.779852E+06           1.2661400E-04
      5.945921E+05           2.8039700E-04
      2.168848E+05           6.1174800E-04
      8.527780E+04           1.3361700E-03
      3.575101E+04           2.9546200E-03
      1.583297E+04           6.6436900E-03
      7.349602E+03           1.5157900E-02
      3.552454E+03           3.4541100E-02
      1.777971E+03           7.6208500E-02
      9.169666E+02           1.5303400E-01
      4.852345E+02           2.5774200E-01
      2.624166E+02           3.1996800E-01
      1.444717E+02           2.4126200E-01
      8.064450E+01           8.6392200E-02
      4.544196E+01           9.5372500E-03
      2.571939E+01           4.5540900E-04
      1.453651E+01          -2.4417200E-04
      8.148447E+00           3.6254200E-05
      4.493342E+00          -5.3225900E-05
      2.414107E+00           3.3302100E-05
      1.255680E+00          -1.1313600E-05
      6.281087E-01           6.9821600E-06
Po    P
      2.946636E+09          -5.2508200E-07
      4.817193E+08          -1.5197200E-06
      9.509824E+07          -4.5509100E-06
      2.209394E+07          -1.1851800E-05
      5.905089E+06          -2.8772900E-05
      1.779852E+06          -6.5926000E-05
      5.945921E+05          -1.4622400E-04
      2.168848E+05          -3.1986200E-04
      8.527780E+04          -7.0065300E-04
      3.575101E+04          -1.5571300E-03
      1.583297E+04          -3.5205400E-03
      7.349602E+03          -8.1134300E-03
      3.552454E+03          -1.8727800E-02
      1.777971E+03          -4.2301300E-02
      9.169666E+02          -8.7614200E-02
      4.852345E+02          -1.5428000E-01
      2.624166E+02          -1.9326700E-01
      1.444717E+02          -8.1711600E-02
      8.064450E+01           2.3767200E-01
      4.544196E+01           4.9547700E-01
      2.571939E+01           3.2773300E-01
      1.453651E+01           7.5932500E-02
      8.148447E+00           5.1873100E-03
      4.493342E+00           3.3502000E-04
      2.414107E+00          -1.2366100E-04
      1.255680E+00          -2.9198400E-05
      6.281087E-01          -1.1078100E-05
Po    P
      2.946636E+09          -2.6586600E-07
      4.817193E+08          -7.6952000E-07
      9.509824E+07          -2.3044700E-06
      2.209394E+07          -6.0022400E-06
      5.905089E+06          -1.4573700E-05
      1.779852E+06          -3.3403700E-05
      5.945921E+05          -7.4108900E-05
      2.168848E+05          -1.6224100E-04
      8.527780E+04          -3.5554100E-04
      3.575101E+04          -7.9138000E-04
      1.583297E+04          -1.7908200E-03
      7.349602E+03          -4.1393800E-03
      3.552454E+03          -9.5791600E-03
      1.777971E+03          -2.1777500E-02
      9.169666E+02          -4.5423400E-02
      4.852345E+02          -8.1035600E-02
      2.624166E+02          -1.0149400E-01
      1.444717E+02          -3.0168800E-02
      8.064450E+01           1.9300200E-01
      4.544196E+01           4.2268000E-01
      2.571939E+01           1.9103300E-01
      1.453651E+01          -3.8259900E-01
      8.148447E+00          -5.9712700E-01
      4.493342E+00          -2.4704300E-01
      2.414107E+00          -2.4548500E-02
      1.255680E+00          -1.8123800E-03
      6.281087E-01           2.7786400E-04
Po    P
      2.946636E+09           3.4099400E-08
      4.817193E+08           9.8695900E-08
      9.509824E+07           2.9557500E-07
      2.209394E+07           7.6985700E-07
      5.905089E+06           1.8693900E-06
      1.779852E+06           4.2849000E-06
      5.945921E+05           9.5080500E-06
      2.168848E+05           2.0816300E-05
      8.527780E+04           4.5635800E-05
      3.575101E+04           1.0157700E-04
      1.583297E+04           2.3006400E-04
      7.349602E+03           5.3174300E-04
      3.552454E+03           1.2328200E-03
      1.777971E+03           2.8037800E-03
      9.169666E+02           5.8696900E-03
      4.852345E+02           1.0486300E-02
      2.624166E+02           1.3179000E-02
      1.444717E+02           3.3365300E-03
      8.064450E+01          -2.7809700E-02
      4.544196E+01          -6.2946000E-02
      2.571939E+01          -2.1458000E-02
      1.453651E+01           8.1942700E-02
      8.148447E+00           1.5702700E-01
      4.493342E+00           1.0321000E-02
      2.414107E+00          -2.2339900E-01
      1.255680E+00          -2.6622500E-01
      6.281087E-01           2.4227800E-02
Po    P
      2.946636E+09           1.1533900E-07
      4.817193E+08           3.3383700E-07
      9.509824E+07           9.9975300E-07
      2.209394E+07           2.6040300E-06
      5.905089E+06           6.3229000E-06
      1.779852E+06           1.4493600E-05
      5.945921E+05           3.2157400E-05
      2.168848E+05           7.0412400E-05
      8.527780E+04           1.5432300E-04
      3.575101E+04           3.4361200E-04
      1.583297E+04           7.7778300E-04
      7.349602E+03           1.7988300E-03
      3.552454E+03           4.1660900E-03
      1.777971E+03           9.4834300E-03
      9.169666E+02           1.9820100E-02
      4.852345E+02           3.5455500E-02
      2.624166E+02           4.4427300E-02
      1.444717E+02           1.1709900E-02
      8.064450E+01          -9.2859700E-02
      4.544196E+01          -2.0782200E-01
      2.571939E+01          -7.5711100E-02
      1.453651E+01           2.6062000E-01
      8.148447E+00           4.7281100E-01
      4.493342E+00           7.4318000E-02
      2.414107E+00          -5.4208200E-01
      1.255680E+00          -5.3665600E-01
      6.281087E-01          -1.4574600E-01
Po    P
      2.851109E-01           1.0000000E+00
Po    P
      1.245172E-01           1.0000000E+00
Po    P
      5.242372E-02           1.0000000E+00
Po    P
      2.073108E-02           1.0000000E+00
Po    D
      1.357936E+05           8.3718200E-06
      3.666576E+04           4.3752000E-05
      1.206193E+04           2.2076700E-04
      4.648193E+03           9.6599600E-04
      2.028492E+03           3.7520900E-03
      9.740534E+02           1.2783400E-02
      5.023552E+02           3.7001300E-02
      2.727524E+02           9.0982900E-02
      1.533882E+02           1.8193000E-01
      8.819720E+01           2.8266400E-01
      5.133122E+01           3.1413400E-01
      3.000957E+01           2.0916800E-01
      1.752478E+01           7.3221600E-02
      1.018148E+01           1.0785500E-02
      5.867971E+00           9.1239100E-04
      3.347718E+00           5.2519300E-05
      1.849739E+00           3.0855900E-05
      1.006109E+00          -1.7798800E-05
Po    D
      1.357936E+05           4.4657700E-06
      3.666576E+04           2.3379800E-05
      1.206193E+04           1.1808900E-04
      4.648193E+03           5.1833400E-04
      2.028492E+03           2.0204800E-03
      9.740534E+02           6.9312200E-03
      5.023552E+02           2.0240500E-02
      2.727524E+02           5.0582400E-02
      1.533882E+02           1.0212900E-01
      8.819720E+01           1.5602400E-01
      5.133122E+01           1.5059300E-01
      3.000957E+01          -1.6337000E-02
      1.752478E+01          -2.7117200E-01
      1.018148E+01          -4.1587300E-01
      5.867971E+00          -3.0370900E-01
      3.347718E+00          -1.0248700E-01
      1.849739E+00          -1.4080700E-02
      1.006109E+00          -1.7759000E-04
Po    D
      1.357936E+05           1.6495700E-06
      3.666576E+04           8.6381400E-06
      1.206193E+04           4.3645400E-05
      4.648193E+03           1.9166000E-04
      2.028492E+03           7.4776200E-04
      9.740534E+02           2.5681700E-03
      5.023552E+02           7.5144300E-03
      2.727524E+02           1.8836400E-02
      1.533882E+02           3.8107600E-02
      8.819720E+01           5.8032500E-02
      5.133122E+01           5.3856300E-02
      3.000957E+01          -2.0201700E-02
      1.752478E+01          -1.3047800E-01
      1.018148E+01          -1.9804000E-01
      5.867971E+00          -1.0402800E-01
      3.347718E+00           1.6531300E-01
      1.849739E+00           3.8408700E-01
      1.006109E+00           3.8105400E-01
Po    D
      5.350176E-01           1.0000000E+00
Po    D
      2.742369E-01           1.0000000E+00
Po    D
      1.237415E-01           1.0000000E+00
Po    D
      5.084861E-02           1.0000000E+00
Po    F
      2.100507E+03           8.2435400E-05
      7.711479E+02           6.6011400E-04
      3.429821E+02           3.5734300E-03
      1.705436E+02           1.4827300E-02
      9.004651E+01           4.6185400E-02
      4.899879E+01           1.1543400E-01
      2.705485E+01           2.1933500E-01
      1.503107E+01           3.0075300E-01
      8.331191E+00           3.0601700E-01
      4.533990E+00           2.1180000E-01
      2.349880E+00           8.4688800E-02
      1.100633E+00           1.2417400E-02
Po    F
      4.934505E-01           1.0000000E+00
Po    F
      2.019106E-01           1.0000000E+00
Po    F
      8.956925E-02           1.0000000E+00
Po    G
      4.084075E-01           1.0000000E+00
Po    G
      1.939688E-01           1.0000000E+00
end
basis "At_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (172s,139p,58d,15f,2g) -> [10s,9p,7d,4f,2g]
At    S
      8.484243E+08           2.3034500E-04
      2.493749E+08           1.8868500E-04
      7.984409E+07           6.4521300E-04
      2.742521E+07           9.9217500E-04
      9.978904E+06           2.0207400E-03
      3.807033E+06           3.4371900E-03
      1.510564E+06           6.2006800E-03
      6.195053E+05           1.0595100E-02
      2.614159E+05           1.8344000E-02
      1.131475E+05           3.1155600E-02
      5.013514E+04           5.2968500E-02
      2.271904E+04           8.8590500E-02
      1.052587E+04           1.4420400E-01
      4.986705E+03           2.1759300E-01
      2.416681E+03           2.7756900E-01
      1.198465E+03           2.4861900E-01
      6.082277E+02           1.1490100E-01
      3.157593E+02           1.5767700E-02
      1.674879E+02           9.3500500E-04
      9.057451E+01          -5.1830800E-04
      4.976762E+01           3.9246000E-04
      2.764960E+01          -3.5288700E-04
      1.543015E+01           2.6000700E-04
      8.575890E+00          -1.6843800E-04
      4.696238E+00           1.0420900E-04
      2.500679E+00          -5.7684500E-05
      1.277024E+00           2.8557400E-05
      5.524373E-01          -1.8582400E-05
At    S
      8.484243E+08          -9.2507100E-05
      2.493749E+08          -7.5574200E-05
      7.984409E+07          -2.5863900E-04
      2.742521E+07          -3.9730700E-04
      9.978904E+06          -8.0996300E-04
      3.807033E+06          -1.3793100E-03
      1.510564E+06          -2.4958100E-03
      6.195053E+05          -4.2855500E-03
      2.614159E+05          -7.4801300E-03
      1.131475E+05          -1.2866800E-02
      5.013514E+04          -2.2313300E-02
      2.271904E+04          -3.8492500E-02
      1.052587E+04          -6.5802700E-02
      4.986705E+03          -1.0732900E-01
      2.416681E+03          -1.5399300E-01
      1.198465E+03          -1.5192800E-01
      6.082277E+02           8.8817800E-03
      3.157593E+02           3.5316100E-01
      1.674879E+02           5.0610800E-01
      9.057451E+01           2.3573700E-01
      4.976762E+01           2.6208800E-02
      2.764960E+01           1.0236800E-03
      1.543015E+01          -3.2630700E-04
      8.575890E+00          -2.0720100E-05
      4.696238E+00          -3.5401300E-05
      2.500679E+00           2.2434500E-05
      1.277024E+00          -6.0074800E-07
      5.524373E-01           2.1599900E-06
At    S
      8.484243E+08           4.4753400E-05
      2.493749E+08           3.6546700E-05
      7.984409E+07           1.2509200E-04
      2.742521E+07           1.9213100E-04
      9.978904E+06           3.9175400E-04
      3.807033E+06           6.6726800E-04
      1.510564E+06           1.2080400E-03
      6.195053E+05           2.0760100E-03
      2.614159E+05           3.6286400E-03
      1.131475E+05           6.2549400E-03
      5.013514E+04           1.0885000E-02
      2.271904E+04           1.8876100E-02
      1.052587E+04           3.2557000E-02
      4.986705E+03           5.3846200E-02
      2.416681E+03           7.9088200E-02
      1.198465E+03           7.9496300E-02
      6.082277E+02          -1.7824000E-02
      3.157593E+02          -2.9273600E-01
      1.674879E+02          -5.4036500E-01
      9.057451E+01          -2.0249700E-01
      4.976762E+01           6.3348500E-01
      2.764960E+01           6.3084700E-01
      1.543015E+01           1.3147500E-01
      8.575890E+00           1.1483100E-02
      4.696238E+00          -2.2362100E-03
      2.500679E+00           1.3903900E-03
      1.277024E+00          -8.7850600E-04
      5.524373E-01           5.4257500E-04
At    S
      8.484243E+08          -2.2787400E-05
      2.493749E+08          -1.8606500E-05
      7.984409E+07          -6.3690400E-05
      2.742521E+07          -9.7816400E-05
      9.978904E+06          -1.9946500E-04
      3.807033E+06          -3.3974500E-04
      1.510564E+06          -6.1520500E-04
      6.195053E+05          -1.0573400E-03
      2.614159E+05          -1.8490200E-03
      1.131475E+05          -3.1882800E-03
      5.013514E+04          -5.5549000E-03
      2.271904E+04          -9.6407000E-03
      1.052587E+04          -1.6677900E-02
      4.986705E+03          -2.7646800E-02
      2.416681E+03          -4.0931900E-02
      1.198465E+03          -4.1147600E-02
      6.082277E+02           1.0840600E-02
      3.157593E+02           1.7184100E-01
      1.674879E+02           3.3576800E-01
      9.057451E+01           1.3610200E-01
      4.976762E+01          -6.7148100E-01
      2.764960E+01          -8.7468300E-01
      1.543015E+01           2.3223600E-01
      8.575890E+00           9.4507100E-01
      4.696238E+00           3.7111000E-01
      2.500679E+00           1.4210900E-02
      1.277024E+00           5.0272100E-03
      5.524373E-01          -2.3805700E-03
At    S
      8.484243E+08           3.9851800E-06
      2.493749E+08           3.2537700E-06
      7.984409E+07           1.1138400E-05
      2.742521E+07           1.7105500E-05
      9.978904E+06           3.4883500E-05
      3.807033E+06           5.9413100E-05
      1.510564E+06           1.0760000E-04
      6.195053E+05           1.8491500E-04
      2.614159E+05           3.2347200E-04
      1.131475E+05           5.5767600E-04
      5.013514E+04           9.7236700E-04
      2.271904E+04           1.6869900E-03
      1.052587E+04           2.9237300E-03
      4.986705E+03           4.8433000E-03
      2.416681E+03           7.2051600E-03
      1.198465E+03           7.2057300E-03
      6.082277E+02          -1.9300000E-03
      3.157593E+02          -3.1571200E-02
      1.674879E+02          -6.2103100E-02
      9.057451E+01          -2.7446700E-02
      4.976762E+01           1.5133300E-01
      2.764960E+01           2.0297500E-01
      1.543015E+01          -7.1804600E-02
      8.575890E+00          -4.7081400E-01
      4.696238E+00          -2.3583600E-01
      2.500679E+00           5.4397400E-01
      1.277024E+00           6.7784300E-01
      5.524373E-01          -9.9722800E-02
At    S
      8.484243E+08          -1.0588200E-05
      2.493749E+08          -8.6450800E-06
      7.984409E+07          -2.9593600E-05
      2.742521E+07          -4.5448200E-05
      9.978904E+06          -9.2681800E-05
      3.807033E+06          -1.5785700E-04
      1.510564E+06          -2.8587500E-04
      6.195053E+05          -4.9130600E-04
      2.614159E+05          -8.5937200E-04
      1.131475E+05          -1.4816800E-03
      5.013514E+04          -2.5829900E-03
      2.271904E+04          -4.4819300E-03
      1.052587E+04          -7.7643300E-03
      4.986705E+03          -1.2865700E-02
      2.416681E+03          -1.9118900E-02
      1.198465E+03          -1.9147800E-02
      6.082277E+02           5.1285300E-03
      3.157593E+02           8.3137000E-02
      1.674879E+02           1.6349900E-01
      9.057451E+01           7.0967200E-02
      4.976762E+01          -3.8452500E-01
      2.764960E+01          -5.1449000E-01
      1.543015E+01           1.8020200E-01
      8.575890E+00           1.0209300E+00
      4.696238E+00           5.0370000E-01
      2.500679E+00          -8.4024300E-01
      1.277024E+00          -7.3319600E-01
      5.524373E-01          -8.2353200E-02
At    S
      3.246716E-01           1.0000000E+00
At    S
      1.664746E-01           1.0000000E+00
At    S
      7.818277E-02           1.0000000E+00
At    S
      2.936998E-02           1.0000000E+00
At    P
      3.009211E+09           1.0462600E-06
      5.222215E+08           2.8494600E-06
      1.068442E+08           8.4459600E-06
      2.526511E+07           2.1800900E-05
      6.783683E+06           5.2962300E-05
      2.035811E+06           1.2169700E-04
      6.734021E+05           2.7106100E-04
      2.425106E+05           5.9463000E-04
      9.406079E+04           1.3048400E-03
      3.892159E+04           2.8950200E-03
      1.704005E+04           6.5228900E-03
      7.835884E+03           1.4893000E-02
      3.760587E+03           3.3936200E-02
      1.872816E+03           7.4876700E-02
      9.628697E+02           1.5060300E-01
      5.086332E+02           2.5480400E-01
      2.748158E+02           3.1962600E-01
      1.511990E+02           2.4545200E-01
      8.432625E+01           9.0281600E-02
      4.744813E+01           1.0323800E-02
      2.679686E+01           4.8086600E-04
      1.510377E+01          -2.5016100E-04
      8.442021E+00           4.0620100E-05
      4.645319E+00          -5.6079900E-05
      2.495741E+00           3.6206400E-05
      1.300544E+00          -1.2811700E-05
      6.456576E-01           7.9060600E-06
At    P
      3.009211E+09          -5.4442200E-07
      5.222215E+08          -1.4829700E-06
      1.068442E+08          -4.3966100E-06
      2.526511E+07          -1.1354000E-05
      6.783683E+06          -2.7601300E-05
      2.035811E+06          -6.3499200E-05
      6.734021E+05          -1.4165100E-04
      2.425106E+05          -3.1154500E-04
      9.406079E+04          -6.8564200E-04
      3.892159E+04          -1.5287600E-03
      1.704005E+04          -3.4636700E-03
      7.835884E+03          -7.9868800E-03
      3.760587E+03          -1.8434500E-02
      1.872816E+03          -4.1623100E-02
      9.628697E+02          -8.6324000E-02
      5.086332E+02          -1.5259800E-01
      2.748158E+02          -1.9361100E-01
      1.511990E+02          -8.7703400E-02
      8.432625E+01           2.2869200E-01
      4.744813E+01           4.9569300E-01
      2.679686E+01           3.3508100E-01
      1.510377E+01           7.8287700E-02
      8.442021E+00           5.3193200E-03
      4.645319E+00           2.6819100E-04
      2.495741E+00          -1.0274700E-04
      1.300544E+00          -4.4369100E-05
      6.456576E-01          -2.1478900E-06
At    P
      3.009211E+09          -2.7673600E-07
      5.222215E+08          -7.5384300E-07
      1.068442E+08          -2.2350300E-06
      2.526511E+07          -5.7725500E-06
      6.783683E+06          -1.4034700E-05
      2.035811E+06          -3.2299100E-05
      6.734021E+05          -7.2070300E-05
      2.425106E+05          -1.5863300E-04
      9.406079E+04          -3.4927900E-04
      3.892159E+04          -7.7996000E-04
      1.704005E+04          -1.7687700E-03
      7.835884E+03          -4.0905000E-03
      3.760587E+03          -9.4657000E-03
      1.872816E+03          -2.1509200E-02
      9.628697E+02          -4.4922600E-02
      5.086332E+02          -8.0436400E-02
      2.748158E+02          -1.0212600E-01
      1.511990E+02          -3.4045400E-02
      8.432625E+01           1.8735600E-01
      4.744813E+01           4.2429600E-01
      2.679686E+01           2.0167700E-01
      1.510377E+01          -3.8279800E-01
      8.442021E+00          -6.0296000E-01
      4.645319E+00          -2.4487100E-01
      2.495741E+00          -2.3447000E-02
      1.300544E+00          -1.7413400E-03
      6.456576E-01           3.1866600E-04
At    P
      3.009211E+09           3.8150500E-08
      5.222215E+08           1.0392300E-07
      1.068442E+08           3.0812600E-07
      2.526511E+07           7.9582800E-07
      6.783683E+06           1.9350000E-06
      2.035811E+06           4.4534500E-06
      6.734021E+05           9.9383000E-06
      2.425106E+05           2.1878400E-05
      9.406079E+04           4.8183700E-05
      3.892159E+04           1.0762200E-04
      1.704005E+04           2.4420000E-04
      7.835884E+03           5.6495500E-04
      3.760587E+03           1.3090700E-03
      1.872816E+03           2.9777500E-03
      9.628697E+02           6.2373200E-03
      5.086332E+02           1.1195500E-02
      2.748158E+02           1.4243000E-02
      1.511990E+02           4.1752100E-03
      8.432625E+01          -2.9171800E-02
      4.744813E+01          -6.7927800E-02
      2.679686E+01          -2.5229500E-02
      1.510377E+01           8.9727400E-02
      8.442021E+00           1.7179000E-01
      4.645319E+00           7.5733400E-03
      2.495741E+00          -2.5325000E-01
      1.300544E+00          -2.8426800E-01
      6.456576E-01           6.2071900E-02
At    P
      3.009211E+09           1.2190400E-07
      5.222215E+08           3.3207400E-07
      1.068442E+08           9.8456500E-07
      2.526511E+07           2.5429600E-06
      6.783683E+06           6.1828600E-06
      2.035811E+06           1.4230200E-05
      6.734021E+05           3.1754500E-05
      2.425106E+05           6.9907200E-05
      9.406079E+04           1.5394100E-04
      3.892159E+04           3.4387200E-04
      1.704005E+04           7.8004700E-04
      7.835884E+03           1.8050100E-03
      3.760587E+03           4.1802200E-03
      1.872816E+03           9.5111500E-03
      9.628697E+02           1.9904000E-02
      5.086332E+02           3.5736400E-02
      2.748158E+02           4.5403100E-02
      1.511990E+02           1.3661400E-02
      8.432625E+01          -9.1700000E-02
      4.744813E+01          -2.1208700E-01
      2.679686E+01          -8.2737800E-02
      1.510377E+01           2.6678300E-01
      8.442021E+00           4.8838700E-01
      4.645319E+00           6.5016800E-02
      2.495741E+00          -5.6510500E-01
      1.300544E+00          -5.3117700E-01
      6.456576E-01          -1.2826600E-01
At    P
      3.054572E-01           1.0000000E+00
At    P
      1.356648E-01           1.0000000E+00
At    P
      5.786086E-02           1.0000000E+00
At    P
      2.350831E-02           1.0000000E+00
At    D
      1.448851E+05           8.0329600E-06
      4.034566E+04           3.9576200E-05
      1.344498E+04           1.9580300E-04
      5.183758E+03           8.5262200E-04
      2.245580E+03           3.3493100E-03
      1.065819E+03           1.1694400E-02
      5.425273E+02           3.4866500E-02
      2.908992E+02           8.8083900E-02
      1.618750E+02           1.8001300E-01
      9.235218E+01           2.8329900E-01
      5.349166E+01           3.1696900E-01
      3.121130E+01           2.1206900E-01
      1.823311E+01           7.4855100E-02
      1.061295E+01           1.1176800E-02
      6.131339E+00           9.2727700E-04
      3.504269E+00           4.7976100E-05
      1.938977E+00           2.8955900E-05
      1.054102E+00          -1.7068600E-05
At    D
      1.448851E+05           4.3111800E-06
      4.034566E+04           2.1280900E-05
      1.344498E+04           1.0536600E-04
      5.183758E+03           4.6028400E-04
      2.245580E+03           1.8140000E-03
      1.065819E+03           6.3771400E-03
      5.425273E+02           1.9176200E-02
      2.908992E+02           4.9233600E-02
      1.618750E+02           1.0168900E-01
      9.235218E+01           1.5756000E-01
      5.349166E+01           1.5386000E-01
      3.121130E+01          -1.2925500E-02
      1.823311E+01          -2.6935300E-01
      1.061295E+01          -4.1659200E-01
      6.131339E+00          -3.0528100E-01
      3.504269E+00          -1.0308700E-01
      1.938977E+00          -1.3823700E-02
      1.054102E+00          -1.3121000E-04
At    D
      1.448851E+05          -1.6421400E-06
      4.034566E+04          -8.1084300E-06
      1.344498E+04          -4.0157100E-05
      5.183758E+03          -1.7551100E-04
      2.245580E+03          -6.9226500E-04
      1.065819E+03          -2.4366200E-03
      5.425273E+02          -7.3410200E-03
      2.908992E+02          -1.8907000E-02
      1.618750E+02          -3.9136500E-02
      9.235218E+01          -6.0460100E-02
      5.349166E+01          -5.6816000E-02
      3.121130E+01           1.9711600E-02
      1.823311E+01           1.3451000E-01
      1.061295E+01           2.0594300E-01
      6.131339E+00           1.0750500E-01
      3.504269E+00          -1.7393800E-01
      1.938977E+00          -4.0024200E-01
      1.054102E+00          -3.8370600E-01
At    D
      5.558072E-01           1.0000000E+00
At    D
      2.817352E-01           1.0000000E+00
At    D
      1.321953E-01           1.0000000E+00
At    D
      5.945496E-02           1.0000000E+00
At    F
      2.374412E+03           6.9385300E-05
      8.441728E+02           6.0250400E-04
      3.658277E+02           3.4518300E-03
      1.789657E+02           1.4726800E-02
      9.391245E+01           4.6075600E-02
      5.121033E+01           1.1399900E-01
      2.848251E+01           2.1535100E-01
      1.596796E+01           2.9678700E-01
      8.922148E+00           3.0632700E-01
      4.884787E+00           2.1533500E-01
      2.545480E+00           8.6413400E-02
      1.204182E+00           1.2405500E-02
At    F
      5.408877E-01           1.0000000E+00
At    F
      2.295420E-01           1.0000000E+00
At    F
      1.219333E-01           1.0000000E+00
At    G
      4.368815E-01           1.0000000E+00
At    G
      2.219312E-01           1.0000000E+00
end
basis "Rn_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (172s,139p,58d,15f,2g) -> [10s,9p,7d,4f,2g]
Rn    S
      1.040521E+09           2.1446600E-04
      3.013301E+08           1.8471700E-04
      9.522148E+07           6.1258700E-04
      3.234140E+07           9.5941400E-04
      1.165842E+07           1.9422300E-03
      4.414699E+06           3.3179800E-03
      1.741664E+06           5.9672000E-03
      7.112986E+05           1.0181500E-02
      2.992875E+05           1.7553900E-02
      1.293013E+05           2.9682100E-02
      5.723070E+04           5.0193600E-02
      2.591843E+04           8.3573100E-02
      1.200307E+04           1.3584600E-01
      5.683839E+03           2.0655100E-01
      2.752522E+03           2.7075000E-01
      1.363476E+03           2.5877300E-01
      6.908692E+02           1.3574500E-01
      3.579296E+02           2.3773300E-02
      1.894060E+02           1.1979600E-03
      1.021753E+02          -4.4449200E-04
      5.601948E+01           3.6869200E-04
      3.108008E+01          -3.5539300E-04
      1.734643E+01           2.6664100E-04
      9.664651E+00          -1.7656700E-04
      5.323568E+00           1.1081200E-04
      2.864730E+00          -5.9840400E-05
      1.453699E+00           2.7654000E-05
      6.067580E-01          -1.7446400E-05
Rn    S
      1.040521E+09          -8.6613200E-05
      3.013301E+08          -7.4390800E-05
      9.522148E+07          -2.4688100E-04
      3.234140E+07          -3.8619900E-04
      1.165842E+07          -7.8246900E-04
      4.414699E+06          -1.3380100E-03
      1.741664E+06          -2.4131300E-03
      7.112986E+05          -4.1361500E-03
      2.992875E+05          -7.1860800E-03
      1.293013E+05          -1.2297100E-02
      5.723070E+04          -2.1189100E-02
      2.591843E+04          -3.6316700E-02
      1.200307E+04          -6.1803900E-02
      5.683839E+03          -1.0098100E-01
      2.752522E+03          -1.4780800E-01
      1.363476E+03          -1.5724600E-01
      6.908692E+02          -2.6533100E-02
      3.579296E+02           3.0120200E-01
      1.894060E+02           5.1303100E-01
      1.021753E+02           2.8453800E-01
      5.601948E+01           4.0368700E-02
      3.108008E+01           1.6754000E-03
      1.734643E+01          -5.0686500E-04
      9.664651E+00           1.4400900E-04
      5.323568E+00          -1.6747100E-04
      2.864730E+00           9.4280400E-05
      1.453699E+00          -3.3332500E-05
      6.067580E-01           2.3679200E-05
Rn    S
      1.040521E+09           4.1966500E-05
      3.013301E+08           3.6028800E-05
      9.522148E+07           1.1958500E-04
      3.234140E+07           1.8703400E-04
      1.165842E+07           3.7901100E-04
      4.414699E+06           6.4820200E-04
      1.741664E+06           1.1696700E-03
      7.112986E+05           2.0062700E-03
      2.992875E+05           3.4905800E-03
      1.293013E+05           5.9845100E-03
      5.723070E+04           1.0347600E-02
      2.591843E+04           1.7818400E-02
      1.200307E+04           3.0587200E-02
      5.683839E+03           5.0597700E-02
      2.752522E+03           7.5753500E-02
      1.363476E+03           8.2155200E-02
      6.908692E+02           5.1803000E-03
      3.579296E+02          -2.4470900E-01
      1.894060E+02          -5.2549800E-01
      1.021753E+02          -3.0251000E-01
      5.601948E+01           5.3490200E-01
      3.108008E+01           6.9875300E-01
      1.734643E+01           1.7956000E-01
      9.664651E+00           1.6963600E-02
      5.323568E+00          -2.7788500E-03
      2.864730E+00           1.8010700E-03
      1.453699E+00          -1.0553200E-03
      6.067580E-01           6.3195700E-04
Rn    S
      1.040521E+09          -2.1432500E-05
      3.013301E+08          -1.8397600E-05
      9.522148E+07          -6.1068600E-05
      3.234140E+07          -9.5504700E-05
      1.165842E+07          -1.9355300E-04
      4.414699E+06          -3.3101200E-04
      1.741664E+06          -5.9744200E-04
      7.112986E+05          -1.0248100E-03
      2.992875E+05          -1.7839800E-03
      1.293013E+05          -3.0590900E-03
      5.723070E+04          -5.2963500E-03
      2.591843E+04          -9.1245300E-03
      1.200307E+04          -1.5713700E-02
      5.683839E+03          -2.6032900E-02
      2.752522E+03          -3.9303100E-02
      1.363476E+03          -4.2597200E-02
      6.908692E+02          -1.8505000E-03
      3.579296E+02           1.4346600E-01
      1.894060E+02           3.2343100E-01
      1.021753E+02           2.0704100E-01
      5.601948E+01          -5.5045700E-01
      3.108008E+01          -9.4522200E-01
      1.734643E+01           4.8307600E-02
      9.664651E+00           9.4137500E-01
      5.323568E+00           4.7173800E-01
      2.864730E+00           2.6954500E-02
      1.453699E+00           6.2770500E-03
      6.067580E-01          -2.9847100E-03
Rn    S
      1.040521E+09           3.8869100E-06
      3.013301E+08           3.3362600E-06
      9.522148E+07           1.1075100E-05
      3.234140E+07           1.7318900E-05
      1.165842E+07           3.5102300E-05
      4.414699E+06           6.0026500E-05
      1.741664E+06           1.0836000E-04
      7.112986E+05           1.8584700E-04
      2.992875E+05           3.2365100E-04
      1.293013E+05           5.5482300E-04
      5.723070E+04           9.6148700E-04
      2.591843E+04           1.6553900E-03
      1.200307E+04           2.8570300E-03
      5.683839E+03           4.7270300E-03
      2.752522E+03           7.1761500E-03
      1.363476E+03           7.7293500E-03
      6.908692E+02           3.6822100E-04
      3.579296E+02          -2.7366000E-02
      1.894060E+02          -6.1740700E-02
      1.021753E+02          -4.2852300E-02
      5.601948E+01           1.2817100E-01
      3.108008E+01           2.2723000E-01
      1.734643E+01          -1.8423500E-02
      9.664651E+00          -4.5478700E-01
      5.323568E+00          -3.4369600E-01
      2.864730E+00           4.9176000E-01
      1.453699E+00           7.8155900E-01
      6.067580E-01          -6.1236300E-02
Rn    S
      1.040521E+09          -1.0066300E-05
      3.013301E+08          -8.6404200E-06
      9.522148E+07          -2.8682100E-05
      3.234140E+07          -4.4853600E-05
      1.165842E+07          -9.0907100E-05
      4.414699E+06          -1.5546100E-04
      1.741664E+06          -2.8062200E-04
      7.112986E+05          -4.8132400E-04
      2.992875E+05          -8.3810700E-04
      1.293013E+05          -1.4369500E-03
      5.723070E+04          -2.4894000E-03
      2.591843E+04          -4.2874200E-03
      1.200307E+04          -7.3944600E-03
      5.683839E+03          -1.2242800E-02
      2.752522E+03          -1.8554400E-02
      1.363476E+03          -2.0036000E-02
      6.908692E+02          -8.9039900E-04
      3.579296E+02           7.0134800E-02
      1.894060E+02           1.5872000E-01
      1.021753E+02           1.0783300E-01
      5.601948E+01          -3.1641400E-01
      3.108008E+01          -5.6277500E-01
      1.734643E+01           5.2653200E-02
      9.664651E+00           9.6601100E-01
      5.323568E+00           6.9988700E-01
      2.864730E+00          -7.5056500E-01
      1.453699E+00          -8.4626800E-01
      6.067580E-01          -1.1090400E-01
Rn    S
      3.559884E-01           1.0000000E+00
Rn    S
      1.784378E-01           1.0000000E+00
Rn    S
      8.491068E-02           1.0000000E+00
Rn    S
      3.134508E-02           1.0000000E+00
Rn    P
      3.269354E+09           1.0602300E-06
      5.515008E+08           2.9668100E-06
      1.110147E+08           8.8035000E-06
      2.605513E+07           2.2732300E-05
      6.985215E+06           5.4975100E-05
      2.100941E+06           1.2554000E-04
      6.978459E+05           2.7752900E-04
      2.525130E+05           6.0396600E-04
      9.837117E+04           1.3145800E-03
      4.084320E+04           2.8939400E-03
      1.791785E+04           6.4752100E-03
      8.244478E+03           1.4704200E-02
      3.953769E+03           3.3401700E-02
      1.965460E+03           7.3695200E-02
      1.007959E+03           1.4873100E-01
      5.309652E+02           2.5316700E-01
      2.861302E+02           3.2019800E-01
      1.571043E+02           2.4834500E-01
      8.752373E+01           9.2494700E-02
      4.925048E+01           1.0806300E-02
      2.785056E+01           4.9447900E-04
      1.573470E+01          -2.4793900E-04
      8.821226E+00           3.8664000E-05
      4.868387E+00          -5.5236400E-05
      2.620432E+00           3.6329100E-05
      1.372694E+00          -1.2802600E-05
      6.811449E-01           8.0347200E-06
Rn    P
      3.269354E+09          -5.5289400E-07
      5.515008E+08          -1.5474000E-06
      1.110147E+08          -4.5927300E-06
      2.605513E+07          -1.1864900E-05
      6.985215E+06          -2.8713300E-05
      2.100941E+06          -6.5649000E-05
      6.978459E+05          -1.4535300E-04
      2.525130E+05          -3.1714100E-04
      9.837117E+04          -6.9230400E-04
      4.084320E+04          -1.5315900E-03
      1.791785E+04          -3.4459700E-03
      8.244478E+03          -7.9023400E-03
      3.953769E+03          -1.8180100E-02
      1.965460E+03          -4.1033000E-02
      1.007959E+03          -8.5361100E-02
      5.309652E+02          -1.5173800E-01
      2.861302E+02          -1.9435500E-01
      1.571043E+02          -9.1187600E-02
      8.752373E+01           2.2406500E-01
      4.925048E+01           4.9431900E-01
      2.785056E+01           3.3859500E-01
      1.573470E+01           8.0872200E-02
      8.821226E+00           5.5815200E-03
      4.868387E+00           2.8280400E-04
      2.620432E+00          -1.1864900E-04
      1.372694E+00          -3.8640200E-05
      6.811449E-01          -4.3879300E-06
Rn    P
      3.269354E+09          -2.8212400E-07
      5.515008E+08          -7.8962300E-07
      1.110147E+08          -2.3437100E-06
      2.605513E+07          -6.0555600E-06
      6.985215E+06          -1.4656400E-05
      2.100941E+06          -3.3521300E-05
      6.978459E+05          -7.4239600E-05
      2.525130E+05          -1.6210600E-04
      9.837117E+04          -3.5403800E-04
      4.084320E+04          -7.8442700E-04
      1.791785E+04          -1.7665500E-03
      8.244478E+03          -4.0628100E-03
      3.953769E+03          -9.3709200E-03
      1.965460E+03          -2.1284100E-02
      1.007959E+03          -4.4586800E-02
      5.309652E+02          -8.0270100E-02
      2.861302E+02          -1.0293500E-01
      1.571043E+02          -3.6276000E-02
      8.752373E+01           1.8499100E-01
      4.925048E+01           4.2483600E-01
      2.785056E+01           2.0856900E-01
      1.573470E+01          -3.7583200E-01
      8.821226E+00          -6.0571500E-01
      4.868387E+00          -2.5006200E-01
      2.620432E+00          -2.4394800E-02
      1.372694E+00          -1.6752100E-03
      6.811449E-01           3.2536000E-04
Rn    P
      3.269354E+09           4.1071900E-08
      5.515008E+08           1.1495500E-07
      1.110147E+08           3.4120900E-07
      2.605513E+07           8.8162100E-07
      6.985215E+06           2.1339000E-06
      2.100941E+06           4.8809900E-06
      6.978459E+05           1.0810800E-05
      2.525130E+05           2.3611000E-05
      9.837117E+04           5.1574600E-05
      4.084320E+04           1.1431400E-04
      1.791785E+04           2.5753700E-04
      8.244478E+03           5.9267500E-04
      3.953769E+03           1.3684000E-03
      1.965460E+03           3.1125100E-03
      1.007959E+03           6.5364500E-03
      5.309652E+02           1.1803800E-02
      2.861302E+02           1.5154200E-02
      1.571043E+02           4.7580100E-03
      8.752373E+01          -3.0553100E-02
      4.925048E+01          -7.1935200E-02
      2.785056E+01          -2.8116700E-02
      1.573470E+01           9.4412400E-02
      8.821226E+00           1.8389300E-01
      4.868387E+00           9.9860900E-03
      2.620432E+00          -2.7535200E-01
      1.372694E+00          -3.0198800E-01
      6.811449E-01           8.9744900E-02
Rn    P
      3.269354E+09           1.2618500E-07
      5.515008E+08           3.5317400E-07
      1.110147E+08           1.0482900E-06
      2.605513E+07           2.7085800E-06
      6.985215E+06           6.5558500E-06
      2.100941E+06           1.4995400E-05
      6.978459E+05           3.3212500E-05
      2.525130E+05           7.2535200E-05
      9.837117E+04           1.5843400E-04
      4.084320E+04           3.5115900E-04
      1.791785E+04           7.9103400E-04
      8.244478E+03           1.8203700E-03
      3.953769E+03           4.2019500E-03
      1.965460E+03           9.5564800E-03
      1.007959E+03           2.0058900E-02
      5.309652E+02           3.6212200E-02
      2.861302E+02           4.6470500E-02
      1.571043E+02           1.4889200E-02
      8.752373E+01          -9.2103400E-02
      4.925048E+01          -2.1591900E-01
      2.785056E+01          -8.7931900E-02
      1.573470E+01           2.6776800E-01
      8.821226E+00           5.0103400E-01
      4.868387E+00           7.0503100E-02
      2.620432E+00          -5.7724500E-01
      1.372694E+00          -5.3302600E-01
      6.811449E-01          -1.2119100E-01
Rn    P
      3.293577E-01           1.0000000E+00
Rn    P
      1.487094E-01           1.0000000E+00
Rn    P
      6.425272E-02           1.0000000E+00
Rn    P
      2.628554E-02           1.0000000E+00
Rn    D
      1.579146E+05           7.5529700E-06
      4.458385E+04           3.5975200E-05
      1.493725E+04           1.7542000E-04
      5.753479E+03           7.5910200E-04
      2.478841E+03           2.9952300E-03
      1.166873E+03           1.0625200E-02
      5.883119E+02           3.2422100E-02
      3.124297E+02           8.3927800E-02
      1.723675E+02           1.7566100E-01
      9.768014E+01           2.8154200E-01
      5.634200E+01           3.1995700E-01
      3.283558E+01           2.1781000E-01
      1.922139E+01           7.8886200E-02
      1.124787E+01           1.2402800E-02
      6.553015E+00           1.0083300E-03
      3.787085E+00           6.6769400E-05
      2.129715E+00           2.3494000E-05
      1.188814E+00          -1.4846000E-05
Rn    D
      1.579146E+05           4.0779400E-06
      4.458385E+04           1.9461300E-05
      1.493725E+04           9.4959200E-05
      5.753479E+03           4.1220700E-04
      2.478841E+03           1.6315300E-03
      1.166873E+03           5.8260600E-03
      5.883119E+02           1.7926600E-02
      3.124297E+02           4.7141400E-02
      1.723675E+02           9.9842900E-02
      9.768014E+01           1.5781700E-01
      5.634200E+01           1.5832600E-01
      3.283558E+01          -4.0930000E-03
      1.922139E+01          -2.6022500E-01
      1.124787E+01          -4.1284700E-01
      6.553015E+00          -3.1159900E-01
      3.787085E+00          -1.1096300E-01
      2.129715E+00          -1.6296600E-02
      1.188814E+00          -2.0713900E-04
Rn    D
      1.579146E+05          -1.5966500E-06
      4.458385E+04          -7.6224100E-06
      1.493725E+04          -3.7200800E-05
      5.753479E+03          -1.6157000E-04
      2.478841E+03          -6.3999500E-04
      1.166873E+03          -2.2881600E-03
      5.883119E+02          -7.0537800E-03
      3.124297E+02          -1.8608200E-02
      1.723675E+02          -3.9507600E-02
      9.768014E+01          -6.2281700E-02
      5.634200E+01          -6.0324700E-02
      3.283558E+01           1.6520900E-02
      1.922139E+01           1.3474800E-01
      1.124787E+01           2.1110300E-01
      6.553015E+00           1.1868100E-01
      3.787085E+00          -1.6176200E-01
      2.129715E+00          -3.9278900E-01
      1.188814E+00          -3.8166600E-01
Rn    D
      6.500742E-01           1.0000000E+00
Rn    D
      3.396577E-01           1.0000000E+00
Rn    D
      1.529838E-01           1.0000000E+00
Rn    D
      6.806131E-02           1.0000000E+00
Rn    F
      2.579204E+03           6.1697900E-05
      9.304469E+02           5.1728000E-04
      4.055230E+02           2.9521100E-03
      1.983198E+02           1.2868800E-02
      1.036342E+02           4.1834900E-02
      5.615592E+01           1.0723900E-01
      3.101568E+01           2.1052500E-01
      1.727927E+01           2.9809300E-01
      9.615660E+00           3.1193200E-01
      5.264275E+00           2.2032200E-01
      2.760602E+00           8.8430200E-02
      1.326592E+00           1.2839300E-02
Rn    F
      5.964996E-01           1.0000000E+00
Rn    F
      2.695620E-01           1.0000000E+00
Rn    F
      1.542974E-01           1.0000000E+00
Rn    G
      4.762295E-01           1.0000000E+00
Rn    G
      2.498936E-01           1.0000000E+00
end
basis "Fr_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (242s,191p,90d,33f,2g) -> [11s,10p,8d,5f,2g]
Fr    S
      5.843710E+07           1.529000E-03
      1.555796E+07           1.362000E-03
      5.328044E+06           3.939000E-03
      2.030919E+06           4.964000E-03
      8.503747E+05           9.796000E-03
      3.783464E+05           1.353100E-02
      1.778782E+05           2.307900E-02
      8.717151E+04           3.272000E-02
      4.431443E+04           5.205000E-02
      2.319379E+04           7.401500E-02
      1.244267E+04           1.114530E-01
      6.804452E+03           1.519380E-01
      3.783347E+03           2.015470E-01
      2.140995E+03           2.178620E-01
      1.241577E+03           1.903870E-01
      7.482887E+02           9.995500E-02
      4.745814E+02           4.322200E-02
      3.018220E+02           2.113000E-03
      1.883850E+02           5.220000E-03
      1.166514E+02          -4.080000E-03
      7.278177E+01           3.471000E-03
      4.591101E+01          -2.819000E-03
      2.869158E+01           2.017000E-03
      1.780614E+01          -1.336000E-03
      1.063753E+01           8.620000E-04
      6.413502E+00          -5.650000E-04
      3.818826E+00           3.480000E-04
      2.207572E+00          -2.090000E-04
      1.276633E+00           1.230000E-04
      7.075206E-01          -6.900000E-05
      3.829364E-01           4.000000E-05
      2.044571E-01          -2.400000E-05
      1.056627E-01           1.600000E-05
      5.899271E-02          -1.100000E-05
Fr    S
      5.843710E+07          -6.190000E-04
      1.555796E+07          -5.510000E-04
      5.328044E+06          -1.597000E-03
      2.030919E+06          -2.017000E-03
      8.503747E+05          -3.996000E-03
      3.783464E+05          -5.557000E-03
      1.778782E+05          -9.561000E-03
      8.717151E+04          -1.375200E-02
      4.431443E+04          -2.226700E-02
      2.319379E+04          -3.257700E-02
      1.244267E+04          -5.087000E-02
      6.804452E+03          -7.342300E-02
      3.783347E+03          -1.049120E-01
      2.140995E+03          -1.255360E-01
      1.241577E+03          -1.142770E-01
      7.482887E+02          -2.768100E-02
      4.745814E+02           1.066140E-01
      3.018220E+02           2.965260E-01
      1.883850E+02           3.864610E-01
      1.166514E+02           2.687210E-01
      7.278177E+01           7.849700E-02
      4.591101E+01           1.151100E-02
      2.869158E+01          -1.140000E-03
      1.780614E+01           1.042000E-03
      1.063753E+01          -8.940000E-04
      6.413502E+00           5.070000E-04
      3.818826E+00          -3.260000E-04
      2.207572E+00           2.130000E-04
      1.276633E+00          -1.200000E-04
      7.075206E-01           6.900000E-05
      3.829364E-01          -4.100000E-05
      2.044571E-01           2.400000E-05
      1.056627E-01          -1.600000E-05
      5.899271E-02           1.100000E-05
Fr    S
      5.843710E+07           3.000000E-04
      1.555796E+07           2.670000E-04
      5.328044E+06           7.750000E-04
      2.030919E+06           9.790000E-04
      8.503747E+05           1.941000E-03
      3.783464E+05           2.702000E-03
      1.778782E+05           4.656000E-03
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      2.638428E+01          -7.405300E-02
      1.550179E+01          -1.860830E-01
      9.153973E+00          -2.011450E-01
      5.364578E+00          -3.921000E-03
      3.081309E+00           2.924620E-01
      1.735304E+00           4.335510E-01
      9.515319E-01           3.098150E-01
      4.963301E-01           1.087140E-01
      2.292627E-01           1.238700E-02
      8.885336E-02          -1.600000E-04
Fr    D
      2.089700E+04          -2.000000E-06
      7.914863E+03          -8.000000E-06
      3.388064E+03          -3.200000E-05
      1.589186E+03          -1.170000E-04
      7.981665E+02          -3.650000E-04
      4.215726E+02          -1.031000E-03
      2.315227E+02          -2.369000E-03
      1.309872E+02          -4.377000E-03
      7.569508E+01          -5.421000E-03
      4.457160E+01          -2.894000E-03
      2.638428E+01           6.730000E-03
      1.550179E+01           1.461600E-02
      9.153973E+00           1.824900E-02
      5.364578E+00          -3.557000E-03
      3.081309E+00          -2.440300E-02
      1.735304E+00          -4.885800E-02
      9.515319E-01          -1.859100E-02
      4.963301E-01           1.444400E-02
      2.292627E-01           1.166760E-01
      8.885336E-02           1.396770E-01
Fr    D
      4.483405E-02           1.000000E+00
Fr    D
      1.972544E-02           1.000000E+00
Fr    D
      1.228396E-02           1.000000E+00
Fr    D
      4.910000E-03           1.000000E+00
Fr    F
      3.340782E+03           4.100000E-05
      1.102265E+03           3.940000E-04
      4.668554E+02           2.405000E-03
      2.234649E+02           1.097500E-02
      1.157292E+02           3.701200E-02
      6.295738E+01           9.372400E-02
      3.563414E+01           1.819330E-01
      2.061579E+01           2.629300E-01
      1.207433E+01           2.890640E-01
      7.172928E+00           2.307580E-01
      4.348012E+00           1.276800E-01
      2.717619E+00           5.120100E-02
      1.661740E+00           1.453700E-02
      8.671003E-01           1.394000E-03
      4.147503E-01          -9.000000E-06
Fr    F
      3.340782E+03           4.000000E-06
      1.102265E+03           3.200000E-05
      4.668554E+02           2.310000E-04
      2.234649E+02           9.350000E-04
      1.157292E+02           3.536000E-03
      6.295738E+01           7.977000E-03
      3.563414E+01           1.770200E-02
      2.061579E+01           2.000800E-02
      1.207433E+01           2.949300E-02
      7.172928E+00          -3.720000E-04
      4.348012E+00           2.132700E-02
      2.717619E+00          -7.462400E-02
      1.661740E+00           6.180200E-02
      8.671003E-01          -3.094960E-01
      4.147503E-01          -6.374750E-01
Fr    F
      1.842453E-01           1.000000E+00
Fr    F
      5.430040E-02           1.000000E+00
Fr    F
      2.172000E-02           1.000000E+00
Fr    G
      6.199471E-02           1.000000E+00
Fr    G
      2.480000E-02           1.000000E+00
end
basis "Ra_aug-cc-pVQZ-DK3" SPHERICAL 
#basis SET: (242s,188p,87d,33f,2g) -> [11s,10p,8d,5f,2g]
Ra    S
      5.806374E+07           1.628000E-03
      1.545654E+07           1.446000E-03
      5.290255E+06           4.175000E-03
      2.013987E+06           5.261000E-03
      8.410006E+05           1.036800E-02
      3.722270E+05           1.446300E-02
      1.733980E+05           2.474300E-02
      8.384327E+04           3.578800E-02
      4.189301E+04           5.728300E-02
      2.150309E+04           8.293100E-02
      1.131675E+04           1.244470E-01
      6.101261E+03           1.668640E-01
      3.380224E+03           2.105190E-01
      1.937525E+03           2.068890E-01
      1.162231E+03           1.663100E-01
      7.404138E+02           7.853000E-02
      4.892720E+02           4.430900E-02
      3.092551E+02           1.604000E-03
      1.903341E+02           5.197000E-03
      1.162070E+02          -3.842000E-03
      6.952400E+01           3.472000E-03
      4.401678E+01          -3.346000E-03
      2.786448E+01           2.832000E-03
      1.788808E+01          -2.145000E-03
      1.121670E+01           1.425000E-03
      6.929171E+00          -8.720000E-04
      4.126763E+00           5.200000E-04
      2.415873E+00          -3.330000E-04
      1.419835E+00           2.260000E-04
      8.561039E-01          -1.410000E-04
      4.752497E-01           8.000000E-05
      2.688953E-01          -5.000000E-05
      1.463956E-01           3.200000E-05
      8.804949E-02          -1.900000E-05
Ra    S
      5.806374E+07          -6.630000E-04
      1.545654E+07          -5.880000E-04
      5.290255E+06          -1.701000E-03
      2.013987E+06          -2.149000E-03
      8.410006E+05          -4.252000E-03
      3.722270E+05          -5.973000E-03
      1.733980E+05          -1.031300E-02
      8.384327E+04          -1.514300E-02
      4.189301E+04          -2.470900E-02
      2.150309E+04          -3.688300E-02
      1.131675E+04          -5.763000E-02
      6.101261E+03          -8.226800E-02
      3.380224E+03          -1.123700E-01
      1.937525E+03          -1.218830E-01
      1.162231E+03          -9.690800E-02
      7.404138E+02          -1.280100E-02
      4.892720E+02           1.031710E-01
      3.092551E+02           3.086010E-01
      1.903341E+02           3.940730E-01
      1.162070E+02           2.646800E-01
      6.952400E+01           6.812300E-02
      4.401678E+01           4.568000E-03
      2.786448E+01           3.010000E-04
      1.788808E+01           2.840000E-04
      1.121670E+01          -5.160000E-04
      6.929171E+00           2.740000E-04
      4.126763E+00          -1.910000E-04
      2.415873E+00           1.440000E-04
      1.419835E+00          -9.300000E-05
      8.561039E-01           6.000000E-05
      4.752497E-01          -3.500000E-05
      2.688953E-01           2.200000E-05
      1.463956E-01          -1.400000E-05
      8.804949E-02           8.000000E-06
Ra    S
      5.806374E+07           3.220000E-04
      1.545654E+07           2.860000E-04
      5.290255E+06           8.270000E-04
      2.013987E+06           1.044000E-03
      8.410006E+05           2.068000E-03
      3.722270E+05           2.909000E-03
      1.733980E+05           5.030000E-03
      8.384327E+04           7.405000E-03
      4.189301E+04           1.212300E-02
      2.150309E+04           1.819600E-02
      1.131675E+04           2.863600E-02
      6.101261E+03           4.136100E-02
      3.380224E+03           5.735000E-02
      1.937525E+03           6.349900E-02
      1.162231E+03           5.012800E-02
      7.404138E+02           1.002000E-03
      4.892720E+02          -8.324300E-02
      3.092551E+02          -2.656390E-01
      1.903341E+02          -4.184650E-01
      1.162070E+02          -2.898570E-01
      6.952400E+01           2.407230E-01
      4.401678E+01           6.065160E-01
      2.786448E+01           4.197720E-01
      1.788808E+01           1.236400E-01
      1.121670E+01           1.721300E-02
      6.929171E+00           8.100000E-05
      4.126763E+00           6.190000E-04
      2.415873E+00          -5.700000E-04
      1.419835E+00           2.490000E-04
      8.561039E-01          -1.840000E-04
      4.752497E-01           1.100000E-04
      2.688953E-01          -6.300000E-05
      1.463956E-01           4.400000E-05
      8.804949E-02          -2.500000E-05
Ra    S
      5.806374E+07          -1.650000E-04
      1.545654E+07          -1.470000E-04
      5.290255E+06          -4.250000E-04
      2.013987E+06          -5.370000E-04
      8.410006E+05          -1.063000E-03
      3.722270E+05          -1.495000E-03
      1.733980E+05          -2.586000E-03
      8.384327E+04          -3.810000E-03
      4.189301E+04          -6.243000E-03
      2.150309E+04          -9.381000E-03
      1.131675E+04          -1.479500E-02
      6.101261E+03          -2.142300E-02
      3.380224E+03          -2.984400E-02
      1.937525E+03          -3.315300E-02
      1.162231E+03          -2.628800E-02
      7.404138E+02           6.480000E-04
      4.892720E+02           4.773500E-02
      3.092551E+02           1.593020E-01
      1.903341E+02           2.618980E-01
      1.162070E+02           1.947810E-01
      6.952400E+01          -2.369020E-01
      4.401678E+01          -7.325170E-01
      2.786448E+01          -5.855540E-01
      1.788808E+01           9.849200E-02
      1.121670E+01           7.513020E-01
      6.929171E+00           5.791470E-01
      4.126763E+00           1.279350E-01
      2.415873E+00           5.262000E-03
      1.419835E+00           1.698000E-03
      8.561039E-01          -3.570000E-04
      4.752497E-01           1.340000E-04
      2.688953E-01          -1.350000E-04
      1.463956E-01           5.700000E-05
      8.804949E-02          -3.600000E-05
Ra    S
      5.806374E+07           7.900000E-05
      1.545654E+07           7.000000E-05
      5.290255E+06           2.040000E-04
      2.013987E+06           2.570000E-04
      8.410006E+05           5.090000E-04
      3.722270E+05           7.170000E-04
      1.733980E+05           1.240000E-03
      8.384327E+04           1.827000E-03
      4.189301E+04           2.995000E-03
      2.150309E+04           4.501000E-03
      1.131675E+04           7.103000E-03
      6.101261E+03           1.029000E-02
      3.380224E+03           1.435700E-02
      1.937525E+03           1.595300E-02
      1.162231E+03           1.268900E-02
      7.404138E+02          -5.090000E-04
      4.892720E+02          -2.347700E-02
      3.092551E+02          -7.967100E-02
      1.903341E+02          -1.320620E-01
      1.162070E+02          -1.014500E-01
      6.952400E+01           1.350850E-01
      4.401678E+01           4.455080E-01
      2.786448E+01           3.547940E-01
      1.788808E+01          -8.059100E-02
      1.121670E+01          -7.575920E-01
      6.929171E+00          -8.442700E-01
      4.126763E+00           1.184090E-01
      2.415873E+00           8.712080E-01
      1.419835E+00           5.058130E-01
      8.561039E-01           8.540900E-02
      4.752497E-01           7.928000E-03
      2.688953E-01          -1.349000E-03
      1.463956E-01           1.052000E-03
      8.804949E-02          -5.430000E-04
Ra    S
      5.806374E+07           1.000000E-05
      1.545654E+07           9.000000E-06
      5.290255E+06           2.500000E-05
      2.013987E+06           3.200000E-05
      8.410006E+05           6.300000E-05
      3.722270E+05           8.900000E-05
      1.733980E+05           1.530000E-04
      8.384327E+04           2.260000E-04
      4.189301E+04           3.710000E-04
      2.150309E+04           5.570000E-04
      1.131675E+04           8.790000E-04
      6.101261E+03           1.274000E-03
      3.380224E+03           1.778000E-03
      1.937525E+03           1.979000E-03
      1.162231E+03           1.567000E-03
      7.404138E+02          -5.400000E-05
      4.892720E+02          -2.951000E-03
      3.092551E+02          -9.932000E-03
      1.903341E+02          -1.661600E-02
      1.162070E+02          -1.274700E-02
      6.952400E+01           1.733000E-02
      4.401678E+01           5.901300E-02
      2.786448E+01           4.594200E-02
      1.788808E+01          -8.739000E-03
      1.121670E+01          -1.193240E-01
      6.929171E+00          -1.393680E-01
      4.126763E+00           3.273300E-02
      2.415873E+00           2.318130E-01
      1.419835E+00           2.282250E-01
      8.561039E-01          -4.903600E-02
      4.752497E-01          -2.923940E-01
      2.688953E-01          -3.696290E-01
      1.463956E-01          -2.133430E-01
      8.804949E-02           1.878660E-01
Ra    S
      5.806374E+07           3.300000E-05
      1.545654E+07           3.000000E-05
      5.290255E+06           8.600000E-05
      2.013987E+06           1.080000E-04
      8.410006E+05           2.140000E-04
      3.722270E+05           3.020000E-04
      1.733980E+05           5.220000E-04
      8.384327E+04           7.690000E-04
      4.189301E+04           1.260000E-03
      2.150309E+04           1.894000E-03
      1.131675E+04           2.988000E-03
      6.101261E+03           4.332000E-03
      3.380224E+03           6.042000E-03
      1.937525E+03           6.723000E-03
      1.162231E+03           5.327000E-03
      7.404138E+02          -1.890000E-04
      4.892720E+02          -1.000700E-02
      3.092551E+02          -3.373000E-02
      1.903341E+02          -5.634900E-02
      1.162070E+02          -4.325100E-02
      6.952400E+01           5.863900E-02
      4.401678E+01           1.987400E-01
      2.786448E+01           1.553310E-01
      1.788808E+01          -3.059700E-02
      1.121670E+01          -3.921720E-01
      6.929171E+00          -4.570500E-01
      4.126763E+00           1.047350E-01
      2.415873E+00           7.057330E-01
      1.419835E+00           6.339080E-01
      8.561039E-01          -8.905900E-02
      4.752497E-01          -6.671260E-01
      2.688953E-01          -5.686110E-01
      1.463956E-01          -1.362340E-01
      8.804949E-02          -2.383000E-03
Ra    S
      4.509217E-02           1.000000E+00
Ra    S
      2.421481E-02           1.000000E+00
Ra    S
      1.291348E-02           1.000000E+00
Ra    S
      6.890000E-03           1.000000E+00
Ra    P
      7.318278E+07           1.700000E-05
      2.608977E+07           1.100000E-05
      9.529733E+06           4.600000E-05
      3.660064E+06           6.700000E-05
      1.463571E+06           1.540000E-04
      6.061348E+05           2.780000E-04
      2.590313E+05           5.710000E-04
      1.139950E+05           1.124000E-03
      5.158893E+04           2.335000E-03
      2.400306E+04           4.896000E-03
      1.148982E+04           1.056600E-02
      5.664164E+03           2.291600E-02
      2.876417E+03           4.920300E-02
      1.503699E+03           1.001040E-01
      8.074906E+02           1.820810E-01
      4.441335E+02           2.724820E-01
      2.495078E+02           2.961040E-01
      1.421397E+02           1.973990E-01
      8.164916E+01           6.249400E-02
      4.781120E+01           6.046000E-03
      2.789117E+01           4.830000E-04
      1.599089E+01          -2.960000E-04
      9.276727E+00           8.000000E-05
      5.342498E+00          -8.200000E-05
      3.042704E+00           5.800000E-05
      1.718650E+00          -2.900000E-05
      9.520360E-01           2.000000E-05
      5.090894E-01          -1.100000E-05
      2.695146E-01           7.000000E-06
      1.415492E-01          -4.000000E-06
      7.189647E-02           2.000000E-06
Ra    P
      7.318278E+07          -9.000000E-06
      2.608977E+07          -6.000000E-06
      9.529733E+06          -2.400000E-05
      3.660064E+06          -3.500000E-05
      1.463571E+06          -8.100000E-05
      6.061348E+05          -1.460000E-04
      2.590313E+05          -3.010000E-04
      1.139950E+05          -5.950000E-04
      5.158893E+04          -1.240000E-03
      2.400306E+04          -2.614000E-03
      1.148982E+04          -5.681000E-03
      5.664164E+03          -1.246000E-02
      2.876417E+03          -2.719900E-02
      1.503699E+03          -5.675200E-02
      8.074906E+02          -1.067740E-01
      4.441335E+02          -1.661620E-01
      2.495078E+02          -1.734650E-01
      1.421397E+02          -2.221400E-02
      8.164916E+01           2.864570E-01
      4.781120E+01           4.672270E-01
      2.789117E+01           2.948030E-01
      1.599089E+01           6.846800E-02
      9.276727E+00           3.754000E-03
      5.342498E+00           7.250000E-04
      3.042704E+00          -3.660000E-04
      1.718650E+00           9.100000E-05
      9.520360E-01          -8.400000E-05
      5.090894E-01           4.300000E-05
      2.695146E-01          -2.500000E-05
      1.415492E-01           1.500000E-05
      7.189647E-02          -9.000000E-06
Ra    P
      7.318278E+07          -5.000000E-06
      2.608977E+07          -3.000000E-06
      9.529733E+06          -1.200000E-05
      3.660064E+06          -1.800000E-05
      1.463571E+06          -4.200000E-05
      6.061348E+05          -7.500000E-05
      2.590313E+05          -1.550000E-04
      1.139950E+05          -3.060000E-04
      5.158893E+04          -6.390000E-04
      2.400306E+04          -1.350000E-03
      1.148982E+04          -2.939000E-03
      5.664164E+03          -6.466000E-03
      2.876417E+03          -1.416400E-02
      1.503699E+03          -2.976700E-02
      8.074906E+02          -5.644600E-02
      4.441335E+02          -8.895500E-02
      2.495078E+02          -9.101200E-02
      1.421397E+02           8.484000E-03
      8.164916E+01           2.365750E-01
      4.781120E+01           4.092320E-01
      2.789117E+01           1.433610E-01
      1.599089E+01          -4.014740E-01
      9.276727E+00          -5.680380E-01
      5.342498E+00          -2.417970E-01
      3.042704E+00          -3.138100E-02
      1.718650E+00          -1.808000E-03
      9.520360E-01           6.800000E-05
      5.090894E-01          -1.300000E-05
      2.695146E-01           5.000000E-05
      1.415492E-01          -2.700000E-05
      7.189647E-02           1.300000E-05
Ra    P
      7.318278E+07          -2.000000E-06
      2.608977E+07          -1.000000E-06
      9.529733E+06          -6.000000E-06
      3.660064E+06          -8.000000E-06
      1.463571E+06          -1.900000E-05
      6.061348E+05          -3.500000E-05
      2.590313E+05          -7.100000E-05
      1.139950E+05          -1.410000E-04
      5.158893E+04          -2.940000E-04
      2.400306E+04          -6.210000E-04
      1.148982E+04          -1.352000E-03
      5.664164E+03          -2.978000E-03
      2.876417E+03          -6.526000E-03
      1.503699E+03          -1.374800E-02
      8.074906E+02          -2.610200E-02
      4.441335E+02          -4.130800E-02
      2.495078E+02          -4.193700E-02
      1.421397E+02           6.381000E-03
      8.164916E+01           1.219860E-01
      4.781120E+01           2.136330E-01
      2.789117E+01           5.282500E-02
      1.599089E+01          -2.990860E-01
      9.276727E+00          -4.916870E-01
      5.342498E+00          -7.809500E-02
      3.042704E+00           5.107250E-01
      1.718650E+00           5.409930E-01
      9.520360E-01           1.833780E-01
      5.090894E-01           1.860900E-02
      2.695146E-01           1.240000E-03
      1.415492E-01          -1.930000E-04
      7.189647E-02           6.000000E-06
Ra    P
      7.318278E+07           1.000000E-06
      2.608977E+07           1.000000E-06
      9.529733E+06           2.000000E-06
      3.660064E+06           3.000000E-06
      1.463571E+06           7.000000E-06
      6.061348E+05           1.300000E-05
      2.590313E+05           2.700000E-05
      1.139950E+05           5.300000E-05
      5.158893E+04           1.100000E-04
      2.400306E+04           2.330000E-04
      1.148982E+04           5.080000E-04
      5.664164E+03           1.119000E-03
      2.876417E+03           2.452000E-03
      1.503699E+03           5.168000E-03
      8.074906E+02           9.812000E-03
      4.441335E+02           1.554600E-02
      2.495078E+02           1.574900E-02
      1.421397E+02          -2.575000E-03
      8.164916E+01          -4.689300E-02
      4.781120E+01          -8.217800E-02
      2.789117E+01          -1.873700E-02
      1.599089E+01           1.234790E-01
      9.276727E+00           2.108880E-01
      5.342498E+00           1.432800E-02
      3.042704E+00          -2.888990E-01
      1.718650E+00          -3.657160E-01
      9.520360E-01          -2.022600E-02
      5.090894E-01           4.310130E-01
      2.695146E-01           5.067110E-01
      1.415492E-01           2.199140E-01
      7.189647E-02           3.340500E-02
Ra    P
      9.529733E+06          -1.000000E-06
      3.660064E+06          -1.000000E-06
      1.463571E+06          -2.000000E-06
      6.061348E+05          -3.000000E-06
      2.590313E+05          -7.000000E-06
      1.139950E+05          -1.300000E-05
      5.158893E+04          -2.700000E-05
      2.400306E+04          -5.800000E-05
      1.148982E+04          -1.260000E-04
      5.664164E+03          -2.770000E-04
      2.876417E+03          -6.080000E-04
      1.503699E+03          -1.280000E-03
      8.074906E+02          -2.432000E-03
      4.441335E+02          -3.852000E-03
      2.495078E+02          -3.906000E-03
      1.421397E+02           6.490000E-04
      8.164916E+01           1.163600E-02
      4.781120E+01           2.044000E-02
      2.789117E+01           4.570000E-03
      1.599089E+01          -3.082400E-02
      9.276727E+00          -5.313700E-02
      5.342498E+00          -2.857000E-03
      3.042704E+00           7.415700E-02
      1.718650E+00           9.803700E-02
      9.520360E-01           1.200000E-05
      5.090894E-01          -1.267890E-01
      2.695146E-01          -1.915180E-01
      1.415492E-01          -1.438680E-01
      7.189647E-02           1.640750E-01
Ra    P
      3.742460E-02           1.000000E+00
Ra    P
      1.950099E-02           1.000000E+00
Ra    P
      9.993870E-03           1.000000E+00
Ra    P
      5.120000E-03           1.000000E+00
Ra    D
      3.636377E+05           3.000000E-06
      8.447168E+04           1.800000E-05
      2.676021E+04           8.100000E-05
      1.008431E+04           3.370000E-04
      4.284538E+03           1.291000E-03
      1.989768E+03           4.596000E-03
      9.896719E+02           1.482700E-02
      5.186886E+02           4.197900E-02
      2.830041E+02           1.012610E-01
      1.594084E+02           1.972920E-01
      9.169760E+01           2.939590E-01
      5.369234E+01           3.038100E-01
      3.159220E+01           1.895150E-01
      1.848124E+01           6.075000E-02
      1.081886E+01           7.543000E-03
      6.313677E+00           7.490000E-04
      3.642918E+00          -4.900000E-05
      2.054794E+00           5.000000E-05
      1.133135E+00          -2.600000E-05
      5.982300E-01           1.400000E-05
      2.844769E-01          -4.000000E-06
Ra    D
      3.636377E+05           2.000000E-06
      8.447168E+04           1.000000E-05
      2.676021E+04           4.400000E-05
      1.008431E+04           1.850000E-04
      4.284538E+03           7.110000E-04
      1.989768E+03           2.537000E-03
      9.896719E+02           8.251000E-03
      5.186886E+02           2.356200E-02
      2.830041E+02           5.785400E-02
      1.594084E+02           1.133440E-01
      9.169760E+01           1.653850E-01
      5.369234E+01           1.392160E-01
      3.159220E+01          -5.097300E-02
      1.848124E+01          -3.086540E-01
      1.081886E+01          -4.160570E-01
      6.313677E+00          -2.679410E-01
      3.642918E+00          -7.936400E-02
      2.054794E+00          -8.162000E-03
      1.133135E+00          -1.970000E-04
      5.982300E-01           9.800000E-05
      2.844769E-01           2.300000E-05
Ra    D
      3.636377E+05           1.000000E-06
      8.447168E+04           4.000000E-06
      2.676021E+04           1.800000E-05
      1.008431E+04           7.600000E-05
      4.284538E+03           2.930000E-04
      1.989768E+03           1.047000E-03
      9.896719E+02           3.411000E-03
      5.186886E+02           9.756000E-03
      2.830041E+02           2.405300E-02
      1.594084E+02           4.715400E-02
      9.169760E+01           6.857900E-02
      5.369234E+01           5.375100E-02
      3.159220E+01          -4.112600E-02
      1.848124E+01          -1.678330E-01
      1.081886E+01          -2.255330E-01
      6.313677E+00          -6.857200E-02
      3.642918E+00           2.440690E-01
      2.054794E+00           4.406040E-01
      1.133135E+00           3.474130E-01
      5.982300E-01           1.314820E-01
      2.844769E-01           1.565900E-02
Ra    D
      8.447168E+04          -1.000000E-06
      2.676021E+04          -3.000000E-06
      1.008431E+04          -1.300000E-05
      4.284538E+03          -5.200000E-05
      1.989768E+03          -1.850000E-04
      9.896719E+02          -6.020000E-04
      5.186886E+02          -1.725000E-03
      2.830041E+02          -4.250000E-03
      1.594084E+02          -8.347000E-03
      9.169760E+01          -1.210500E-02
      5.369234E+01          -9.446000E-03
      3.159220E+01           7.795000E-03
      1.848124E+01           3.046300E-02
      1.081886E+01           4.140900E-02
      6.313677E+00           9.491000E-03
      3.642918E+00          -5.228500E-02
      2.054794E+00          -9.834400E-02
      1.133135E+00          -6.971000E-02
      5.982300E-01           4.541900E-02
      2.844769E-01           2.125630E-01
Ra    D
      1.206014E-01           1.000000E+00
Ra    D
      4.927129E-02           1.000000E+00
Ra    D
      1.965602E-02           1.000000E+00
Ra    D
      7.860000E-03           1.000000E+00
Ra    F
      3.674507E+03           3.600000E-05
      1.208162E+03           3.470000E-04
      5.102671E+02           2.130000E-03
      2.435904E+02           9.863000E-03
      1.258942E+02           3.395900E-02
      6.843385E+01           8.780500E-02
      3.860621E+01           1.765450E-01
      2.215570E+01           2.660180E-01
      1.276450E+01           3.026780E-01
      7.387228E+00           2.426600E-01
      4.337773E+00           1.241060E-01
      2.711521E+00           4.135800E-02
      1.694766E+00           1.220700E-02
      8.550029E-01           9.160000E-04
      4.147022E-01          -7.000000E-06
Ra    F
      3.674507E+03          -4.000000E-06
      1.208162E+03          -3.300000E-05
      5.102671E+02          -2.230000E-04
      2.435904E+02          -9.560000E-04
      1.258942E+02          -3.545000E-03
      6.843385E+01          -8.543000E-03
      3.860621E+01          -1.851800E-02
      2.215570E+01          -2.414300E-02
      1.276450E+01          -3.029400E-02
      7.387228E+00          -6.966000E-03
      4.337773E+00          -6.698000E-03
      2.711521E+00           6.376600E-02
      1.694766E+00          -4.601300E-02
      8.550029E-01           4.184220E-01
      4.147022E-01           5.726890E-01
Ra    F
      1.749083E-01           1.000000E+00
Ra    F
      6.750139E-02           1.000000E+00
Ra    F
      2.700000E-02           1.000000E+00
Ra    G
      1.292406E-01           1.000000E+00
Ra    G
      5.170000E-02           1.000000E+00
end
