# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# aug-cc-pwCVTZ-X2C version number 1
# Description: aug-cc-pwCVTZ-X2C
# 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
# 
#  K,Ca,Rb,Sr,Cs,Ba,Fr,Ra
#      aug-cc-pwCVTZ-X2C
#          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 "K_aug-cc-pwCVTZ-X2C" SPHERICAL 
#basis SET: (88s,47p,9d,3f) -> [9s,8p,6d,3f]
K    S
      2.709796E+07           1.300000E-05
      3.592856E+06           4.100000E-05
      7.222638E+05           1.210000E-04
      1.833976E+05           3.350000E-04
      5.464812E+04           9.160000E-04
      1.830913E+04           2.488000E-03
      6.712501E+03           6.698000E-03
      2.643719E+03           1.765000E-02
      1.103835E+03           4.442700E-02
      4.836777E+02           1.025880E-01
      2.206245E+02           2.038040E-01
      1.041117E+02           3.138510E-01
      5.052749E+01           3.074340E-01
      2.485247E+01           1.398430E-01
      1.128102E+01           1.624100E-02
      5.510166E+00          -2.630000E-04
      2.706914E+00           5.030000E-04
      1.122807E+00          -2.220000E-04
      5.236385E-01           6.500000E-05
      2.355180E-01          -3.600000E-05
      4.157977E-02           1.900000E-05
K    S
      2.709796E+07          -4.000000E-06
      3.592856E+06          -1.200000E-05
      7.222638E+05          -3.500000E-05
      1.833976E+05          -9.700000E-05
      5.464812E+04          -2.660000E-04
      1.830913E+04          -7.240000E-04
      6.712501E+03          -1.961000E-03
      2.643719E+03          -5.206000E-03
      1.103835E+03          -1.339600E-02
      4.836777E+02          -3.218800E-02
      2.206245E+02          -7.000500E-02
      1.041117E+02          -1.277050E-01
      5.052749E+01          -1.733640E-01
      2.485247E+01          -8.573700E-02
      1.128102E+01           2.571140E-01
      5.510166E+00           5.577460E-01
      2.706914E+00           3.224970E-01
      1.122807E+00           3.251000E-02
      5.236385E-01          -1.916000E-03
      2.355180E-01           1.300000E-03
      4.157977E-02          -4.890000E-04
K    S
      1.196900E+00           1.000000E+00
K    S
      2.709796E+07           1.000000E-06
      3.592856E+06           4.000000E-06
      7.222638E+05           1.200000E-05
      1.833976E+05           3.200000E-05
      5.464812E+04           8.800000E-05
      1.830913E+04           2.390000E-04
      6.712501E+03           6.480000E-04
      2.643719E+03           1.716000E-03
      1.103835E+03           4.444000E-03
      4.836777E+02           1.066500E-02
      2.206245E+02           2.357300E-02
      1.041117E+02           4.340000E-02
      5.052749E+01           6.202600E-02
      2.485247E+01           3.059000E-02
      1.128102E+01          -1.053100E-01
      5.510166E+00          -3.334020E-01
      2.706914E+00          -2.967080E-01
      1.122807E+00           3.175360E-01
      5.236385E-01           6.707400E-01
      2.355180E-01           2.761620E-01
      4.157977E-02           8.694000E-03
K    S
      1.736600E-01           1.000000E+00
K    S
      3.592856E+06          -1.000000E-06
      7.222638E+05          -2.000000E-06
      1.833976E+05          -6.000000E-06
      5.464812E+04          -1.700000E-05
      1.830913E+04          -4.600000E-05
      6.712501E+03          -1.250000E-04
      2.643719E+03          -3.330000E-04
      1.103835E+03          -8.590000E-04
      4.836777E+02          -2.070000E-03
      2.206245E+02          -4.559000E-03
      1.041117E+02          -8.459000E-03
      5.052749E+01          -1.203100E-02
      2.485247E+01          -6.123000E-03
      1.128102E+01           2.118800E-02
      5.510166E+00           6.841600E-02
      2.706914E+00           6.476500E-02
      1.122807E+00          -8.370900E-02
      5.236385E-01          -1.749990E-01
      2.355180E-01          -2.269470E-01
      4.157977E-02           5.221420E-01
K    S
      2.555456E-02           1.000000E+00
K    S
      1.471495E-02           1.000000E+00
K    S
      8.470000E-03           1.000000E+00
K    P
      9.533309E+03           8.200000E-05
      1.852081E+03           6.320000E-04
      5.464251E+02           3.611000E-03
      1.966947E+02           1.596000E-02
      7.964112E+01           5.553600E-02
      3.488324E+01           1.484500E-01
      1.604479E+01           2.883660E-01
      7.575632E+00           3.744160E-01
      3.672548E+00           2.533910E-01
      1.771130E+00           6.028300E-02
      8.515199E-01           2.503000E-03
      4.016017E-01           6.680000E-04
      1.851933E-01          -1.490000E-04
      2.431085E-02          -3.500000E-05
K    P
      1.318800E+00           1.000000E+00
K    P
      9.533309E+03          -2.500000E-05
      1.852081E+03          -1.930000E-04
      5.464251E+02          -1.103000E-03
      1.966947E+02          -4.924000E-03
      7.964112E+01          -1.734600E-02
      3.488324E+01          -4.789600E-02
      1.604479E+01          -9.572200E-02
      7.575632E+00          -1.333680E-01
      3.672548E+00          -7.324200E-02
      1.771130E+00           1.654520E-01
      8.515199E-01           4.055900E-01
      4.016017E-01           4.107060E-01
      1.851933E-01           1.733080E-01
      2.431085E-02          -3.299000E-03
K    P
      1.766300E-01           1.000000E+00
K    P
      5.523390E-02           1.000000E+00
K    P
      9.533309E+03           3.000000E-06
      1.852081E+03           2.700000E-05
      5.464251E+02           1.520000E-04
      1.966947E+02           6.760000E-04
      7.964112E+01           2.393000E-03
      3.488324E+01           6.595000E-03
      1.604479E+01           1.327600E-02
      7.575632E+00           1.843400E-02
      3.672548E+00           1.010700E-02
      1.771130E+00          -2.662400E-02
      8.515199E-01          -6.080600E-02
      4.016017E-01          -7.470000E-02
      1.851933E-01          -4.857200E-02
      2.431085E-02           5.838670E-01
K    P
      1.080339E-02           1.000000E+00
K    P
      4.800000E-03           1.000000E+00
K    D
      1.260800E+00           1.000000E+00
K    D
      3.971300E-01           1.000000E+00
K    D
      5.670903E+00           8.130000E-03
      1.459042E+00           2.288600E-02
      5.431827E-01           4.807800E-02
      1.346875E-01           7.257100E-02
K    D
      5.516013E-02           1.000000E+00
K    D
      1.501876E-02           1.000000E+00
K    D
      6.010000E-03           1.000000E+00
K    F
      4.946900E-01           1.000000E+00
K    F
      8.493750E-02           1.000000E+00
K    F
      3.398000E-02           1.000000E+00
end
basis "Ca_aug-cc-pwCVTZ-X2C" SPHERICAL 
#basis SET: (88s,47p,9d,3f) -> [9s,8p,6d,3f]
Ca    S
      3.246335E+07           1.300000E-05
      4.428379E+06           4.000000E-05
      9.007519E+05           1.160000E-04
      2.296345E+05           3.170000E-04
      6.847478E+04           8.490000E-04
      2.292598E+04           2.263000E-03
      8.394560E+03           6.004000E-03
      3.301053E+03           1.566500E-02
      1.376055E+03           3.932600E-02
      6.021187E+02           9.149800E-02
      2.743542E+02           1.858160E-01
      1.293142E+02           2.996530E-01
      6.264318E+01           3.209550E-01
      3.070188E+01           1.698870E-01
      1.395630E+01           2.468700E-02
      6.881278E+00          -9.600000E-04
      3.401357E+00           9.820000E-04
      1.500925E+00          -4.500000E-04
      7.253141E-01           1.770000E-04
      3.358905E-01          -8.400000E-05
      4.053090E-02          -2.400000E-05
Ca    S
      3.246335E+07          -4.000000E-06
      4.428379E+06          -1.200000E-05
      9.007519E+05          -3.400000E-05
      2.296345E+05          -9.300000E-05
      6.847478E+04          -2.500000E-04
      2.292598E+04          -6.660000E-04
      8.394560E+03          -1.777000E-03
      3.301053E+03          -4.669000E-03
      1.376055E+03          -1.195600E-02
      6.021187E+02          -2.883600E-02
      2.743542E+02          -6.354000E-02
      1.293142E+02          -1.194150E-01
      6.264318E+01          -1.729020E-01
      3.070188E+01          -1.143610E-01
      1.395630E+01           1.982740E-01
      6.881278E+00           5.452380E-01
      3.401357E+00           3.783690E-01
      1.500925E+00           5.129400E-02
      7.253141E-01          -2.107000E-03
      3.358905E-01           1.676000E-03
      4.053090E-02           2.990000E-04
Ca    S
      1.627100E+00           1.000000E+00
Ca    S
      3.246335E+07           1.000000E-06
      4.428379E+06           4.000000E-06
      9.007519E+05           1.200000E-05
      2.296345E+05           3.200000E-05
      6.847478E+04           8.600000E-05
      2.292598E+04           2.300000E-04
      8.394560E+03           6.140000E-04
      3.301053E+03           1.611000E-03
      1.376055E+03           4.145000E-03
      6.021187E+02           1.000400E-02
      2.743542E+02           2.232900E-02
      1.293142E+02           4.245800E-02
      6.264318E+01           6.418800E-02
      3.070188E+01           4.361800E-02
      1.395630E+01          -8.453900E-02
      6.881278E+00          -3.230030E-01
      3.401357E+00          -3.572460E-01
      1.500925E+00           2.077400E-01
      7.253141E-01           6.950150E-01
      3.358905E-01           3.595120E-01
      4.053090E-02          -6.241000E-03
Ca    S
      2.898300E-01           1.000000E+00
Ca    S
      8.185346E-02           1.000000E+00
Ca    S
      4.428379E+06          -1.000000E-06
      9.007519E+05          -3.000000E-06
      2.296345E+05          -8.000000E-06
      6.847478E+04          -2.100000E-05
      2.292598E+04          -5.500000E-05
      8.394560E+03          -1.470000E-04
      3.301053E+03          -3.850000E-04
      1.376055E+03          -9.920000E-04
      6.021187E+02          -2.391000E-03
      2.743542E+02          -5.357000E-03
      1.293142E+02          -1.016900E-02
      6.264318E+01          -1.553100E-02
      3.070188E+01          -1.045900E-02
      1.395630E+01           2.047100E-02
      6.881278E+00           8.364200E-02
      3.401357E+00           9.501600E-02
      1.500925E+00          -6.492400E-02
      7.253141E-01          -2.464580E-01
      3.358905E-01          -2.829810E-01
      4.053090E-02           5.916050E-01
Ca    S
      1.944880E-02           1.000000E+00
Ca    S
      9.330000E-03           1.000000E+00
Ca    P
      1.187302E+04           7.500000E-05
      2.257513E+03           5.750000E-04
      6.583884E+02           3.278000E-03
      2.354122E+02           1.461900E-02
      9.494552E+01           5.160700E-02
      4.149639E+01           1.406900E-01
      1.908671E+01           2.804340E-01
      9.029090E+00           3.746470E-01
      4.404404E+00           2.631540E-01
      2.163408E+00           6.815300E-02
      1.069239E+00           3.777000E-03
      5.276768E-01           6.370000E-04
      2.561041E-01          -1.560000E-04
      4.378057E-02          -3.100000E-05
Ca    P
      1.711900E+00           1.000000E+00
Ca    P
      1.187302E+04          -2.500000E-05
      2.257513E+03          -1.880000E-04
      6.583884E+02          -1.071000E-03
      2.354122E+02          -4.820000E-03
      9.494552E+01          -1.722600E-02
      4.149639E+01          -4.850900E-02
      1.908671E+01          -9.972700E-02
      9.029090E+00          -1.427270E-01
      4.404404E+00          -8.446000E-02
      2.163408E+00           1.582160E-01
      1.069239E+00           4.041060E-01
      5.276768E-01           4.099910E-01
      2.561041E-01           1.719020E-01
      4.378057E-02          -1.023000E-03
Ca    P
      2.805100E-01           1.000000E+00
Ca    P
      9.807692E-02           1.000000E+00
Ca    P
      1.187302E+04           5.000000E-06
      2.257513E+03           3.900000E-05
      6.583884E+02           2.240000E-04
      2.354122E+02           1.004000E-03
      9.494552E+01           3.603000E-03
      4.149639E+01           1.013300E-02
      1.908671E+01           2.100300E-02
      9.029090E+00           2.999800E-02
      4.404404E+00           1.775500E-02
      2.163408E+00          -4.033200E-02
      1.069239E+00          -9.473100E-02
      5.276768E-01          -1.235770E-01
      2.561041E-01          -5.647800E-02
      4.378057E-02           5.801000E-01
Ca    P
      1.925774E-02           1.000000E+00
Ca    P
      8.470000E-03           1.000000E+00
Ca    D
      4.404000E+00           1.000000E+00
Ca    D
      1.324000E+00           1.000000E+00
Ca    D
      1.642542E+01           1.578800E-02
      4.310787E+00           7.997700E-02
      1.378997E+00           2.088840E-01
      4.433229E-01           3.286950E-01
Ca    D
      1.331478E-01           1.000000E+00
Ca    D
      3.912268E-02           1.000000E+00
Ca    D
      1.565000E-02           1.000000E+00
Ca    F
      6.291800E-01           1.000000E+00
Ca    F
      1.507795E-01           1.000000E+00
Ca    F
      6.031000E-02           1.000000E+00
end
basis "Rb_aug-cc-pwCVTZ-X2C" SPHERICAL 
#basis SET: (132s,80p,31d,3f) -> [10s,9p,7d,3f]
Rb    S
      8.087672E+07           4.400000E-05
      1.833712E+07           6.500000E-05
      5.183478E+06           1.710000E-04
      1.628740E+06           3.430000E-04
      5.586429E+05           7.420000E-04
      2.054991E+05           1.532000E-03
      8.031351E+04           3.242000E-03
      3.307294E+04           6.873000E-03
      1.425453E+04           1.473700E-02
      6.393700E+03           3.140900E-02
      2.970824E+03           6.531300E-02
      1.424070E+03           1.275780E-01
      7.015118E+02           2.196790E-01
      3.540045E+02           2.985930E-01
      1.823440E+02           2.656840E-01
      9.522824E+01           1.153430E-01
      4.870144E+01           1.436300E-02
      2.587938E+01           2.650000E-04
      1.378066E+01           9.200000E-05
      6.998032E+00          -6.600000E-05
      3.674433E+00          -2.500000E-05
      1.913957E+00          -1.000000E-06
      8.350955E-01           1.000000E-06
      4.061341E-01           2.000000E-06
Rb    S
      8.087672E+07          -1.400000E-05
      1.833712E+07          -2.100000E-05
      5.183478E+06          -5.600000E-05
      1.628740E+06          -1.130000E-04
      5.586429E+05          -2.430000E-04
      2.054991E+05          -5.040000E-04
      8.031351E+04          -1.070000E-03
      3.307294E+04          -2.278000E-03
      1.425453E+04          -4.928000E-03
      6.393700E+03          -1.065900E-02
      2.970824E+03          -2.282500E-02
      1.424070E+03          -4.701000E-02
      7.015118E+02          -8.976400E-02
      3.540045E+02          -1.465840E-01
      1.823440E+02          -1.740710E-01
      9.522824E+01          -5.818200E-02
      4.870144E+01           2.831140E-01
      2.587938E+01           5.296000E-01
      1.378066E+01           3.117810E-01
      6.998032E+00           4.970800E-02
      3.674433E+00           9.550000E-04
      1.913957E+00           1.047000E-03
      8.350955E-01          -3.050000E-04
      4.061341E-01           8.000000E-05
      1.895353E-01          -4.800000E-05
      1.987047E-02          -1.600000E-05
Rb    S
      8.087672E+07           6.000000E-06
      1.833712E+07           9.000000E-06
      5.183478E+06           2.300000E-05
      1.628740E+06           4.600000E-05
      5.586429E+05           9.900000E-05
      2.054991E+05           2.050000E-04
      8.031351E+04           4.350000E-04
      3.307294E+04           9.280000E-04
      1.425453E+04           2.010000E-03
      6.393700E+03           4.354000E-03
      2.970824E+03           9.362000E-03
      1.424070E+03           1.941800E-02
      7.015118E+02           3.762000E-02
      3.540045E+02           6.306500E-02
      1.823440E+02           7.844600E-02
      9.522824E+01           2.710800E-02
      4.870144E+01          -1.679770E-01
      2.587938E+01          -4.303110E-01
      1.378066E+01          -3.165520E-01
      6.998032E+00           2.938250E-01
      3.674433E+00           6.870110E-01
      1.913957E+00           3.317890E-01
      8.350955E-01           2.540100E-02
      4.061341E-01          -1.383000E-03
      1.895353E-01           8.980000E-04
      1.987047E-02           2.080000E-04
Rb    S
      5.295700E-01           1.000000E+00
Rb    S
      3.310100E-01           1.000000E+00
Rb    S
      8.087672E+07           2.000000E-06
      1.833712E+07           3.000000E-06
      5.183478E+06           8.000000E-06
      1.628740E+06           1.500000E-05
      5.586429E+05           3.300000E-05
      2.054991E+05           6.900000E-05
      8.031351E+04           1.470000E-04
      3.307294E+04           3.140000E-04
      1.425453E+04           6.810000E-04
      6.393700E+03           1.472000E-03
      2.970824E+03           3.175000E-03
      1.424070E+03           6.574000E-03
      7.015118E+02           1.281500E-02
      3.540045E+02           2.145900E-02
      1.823440E+02           2.713800E-02
      9.522824E+01           9.071000E-03
      4.870144E+01          -5.972100E-02
      2.587938E+01          -1.653320E-01
      1.378066E+01          -1.213730E-01
      6.998032E+00           1.287540E-01
      3.674433E+00           4.401950E-01
      1.913957E+00           3.606990E-01
      8.350955E-01          -3.606890E-01
      4.061341E-01          -7.007180E-01
      1.895353E-01          -2.646340E-01
      1.987047E-02           3.535000E-03
Rb    S
      3.770138E-02           1.000000E+00
Rb    S
      1.833712E+07          -1.000000E-06
      5.183478E+06          -2.000000E-06
      1.628740E+06          -3.000000E-06
      5.586429E+05          -7.000000E-06
      2.054991E+05          -1.500000E-05
      8.031351E+04          -3.100000E-05
      3.307294E+04          -6.700000E-05
      1.425453E+04          -1.440000E-04
      6.393700E+03          -3.130000E-04
      2.970824E+03          -6.730000E-04
      1.424070E+03          -1.397000E-03
      7.015118E+02          -2.719000E-03
      3.540045E+02          -4.564000E-03
      1.823440E+02          -5.761000E-03
      9.522824E+01          -1.949000E-03
      4.870144E+01           1.279700E-02
      2.587938E+01           3.548800E-02
      1.378066E+01           2.627100E-02
      6.998032E+00          -2.822300E-02
      3.674433E+00          -1.009570E-01
      1.913957E+00          -8.772900E-02
      8.350955E-01           1.063350E-01
      4.061341E-01           2.109880E-01
      1.895353E-01           2.401360E-01
      1.987047E-02          -4.645440E-01
Rb    S
      1.133663E-02           1.000000E+00
Rb    S
      6.470000E-03           1.000000E+00
Rb    P
      3.817798E+05           2.100000E-05
      5.660601E+04           1.050000E-04
      1.294307E+04           5.000000E-04
      3.856320E+03           2.213000E-03
      1.373381E+03           8.903000E-03
      5.516454E+02           3.142200E-02
      2.410726E+02           9.291300E-02
      1.119469E+02           2.140850E-01
      5.414138E+01           3.498540E-01
      2.695859E+01           3.351550E-01
      1.354851E+01           1.383670E-01
      6.835745E+00           1.645800E-02
      3.453975E+00           1.931000E-03
      1.744947E+00          -3.530000E-04
      9.346305E-01           3.810000E-04
      4.778987E-01          -2.340000E-04
      2.444473E-01           1.270000E-04
      1.231131E-01          -5.400000E-05
      1.983271E-02          -1.200000E-05
Rb    P
      3.817798E+05          -9.000000E-06
      5.660601E+04          -4.400000E-05
      1.294307E+04          -2.080000E-04
      3.856320E+03          -9.200000E-04
      1.373381E+03          -3.731000E-03
      5.516454E+02          -1.332400E-02
      2.410726E+02          -4.056000E-02
      1.119469E+02          -9.736200E-02
      5.414138E+01          -1.692020E-01
      2.695859E+01          -1.541700E-01
      1.354851E+01           9.199700E-02
      6.835745E+00           4.144210E-01
      3.453975E+00           4.516060E-01
      1.744947E+00           1.696190E-01
      9.346305E-01           1.495100E-02
      4.778987E-01           3.522000E-03
      2.444473E-01          -9.130000E-04
      1.231131E-01           4.060000E-04
      1.983271E-02           9.100000E-05
Rb    P
      8.505400E-01           1.000000E+00
Rb    P
      3.817798E+05          -3.000000E-06
      5.660601E+04          -1.300000E-05
      1.294307E+04          -6.200000E-05
      3.856320E+03          -2.750000E-04
      1.373381E+03          -1.114000E-03
      5.516454E+02          -3.986000E-03
      2.410726E+02          -1.218300E-02
      1.119469E+02          -2.941900E-02
      5.414138E+01          -5.164500E-02
      2.695859E+01          -4.647700E-02
      1.354851E+01           3.929000E-02
      6.835745E+00           1.593210E-01
      3.453975E+00           2.022700E-01
      1.744947E+00           3.351500E-02
      9.346305E-01          -2.707420E-01
      4.778987E-01          -4.415690E-01
      2.444473E-01          -3.385200E-01
      1.231131E-01          -1.089530E-01
      1.983271E-02           1.291000E-03
Rb    P
      1.391500E-01           1.000000E+00
Rb    P
      4.300939E-02           1.000000E+00
Rb    P
      5.660601E+04          -2.000000E-06
      1.294307E+04          -9.000000E-06
      3.856320E+03          -4.100000E-05
      1.373381E+03          -1.660000E-04
      5.516454E+02          -5.950000E-04
      2.410726E+02          -1.820000E-03
      1.119469E+02          -4.391000E-03
      5.414138E+01          -7.727000E-03
      2.695859E+01          -6.917000E-03
      1.354851E+01           5.941000E-03
      6.835745E+00           2.429400E-02
      3.453975E+00           3.084800E-02
      1.744947E+00           4.822000E-03
      9.346305E-01          -4.747000E-02
      4.778987E-01          -7.313200E-02
      2.444473E-01          -8.425700E-02
      1.231131E-01          -3.871900E-02
      1.983271E-02           5.840320E-01
Rb    P
      9.253230E-03           1.000000E+00
Rb    P
      4.320000E-03           1.000000E+00
Rb    D
      1.450652E+03           1.740000E-04
      4.172225E+02           1.565000E-03
      1.583804E+02           9.015000E-03
      6.898203E+01           3.521000E-02
      3.282431E+01           9.751300E-02
      1.663858E+01           1.973890E-01
      8.686364E+00           2.899100E-01
      4.561525E+00           3.158490E-01
      2.379590E+00           2.317730E-01
      1.193471E+00           9.190600E-02
      5.287271E-01           1.239000E-02
      1.947040E-01          -6.000000E-05
      8.291889E-02           2.490000E-04
Rb    D
      9.164800E-01           1.000000E+00
Rb    D
      3.438200E-01           1.000000E+00
Rb    D
      1.450652E+03          -6.000000E-06
      4.172225E+02          -5.400000E-05
      1.583804E+02          -3.150000E-04
      6.898203E+01          -1.216000E-03
      3.282431E+01          -3.449000E-03
      1.663858E+01          -6.860000E-03
      8.686364E+00          -1.017600E-02
      4.561525E+00          -9.989000E-03
      2.379590E+00          -5.954000E-03
      1.193471E+00           1.386200E-02
      5.287271E-01           4.427400E-02
      1.947040E-01           9.836400E-02
      8.291889E-02           4.113600E-02
Rb    D
      4.324047E-02           1.000000E+00
Rb    D
      1.291134E-02           1.000000E+00
Rb    D
      5.160000E-03           1.000000E+00
Rb    F
      3.697100E-01           1.000000E+00
Rb    F
      8.484375E-02           1.000000E+00
Rb    F
      3.394000E-02           1.000000E+00
end
basis "Sr_aug-cc-pwCVTZ-X2C" SPHERICAL 
#basis SET: (135s,77p,31d,3f) -> [10s,9p,7d,3f]
Sr    S
      8.268188E+07           4.700000E-05
      1.933897E+07           6.600000E-05
      5.618373E+06           1.750000E-04
      1.803504E+06           3.390000E-04
      6.292678E+05           7.250000E-04
      2.346290E+05           1.468000E-03
      9.268303E+04           3.059000E-03
      3.848584E+04           6.370000E-03
      1.669953E+04           1.344800E-02
      7.533040E+03           2.828100E-02
      3.516987E+03           5.837100E-02
      1.692794E+03           1.142200E-01
      8.370832E+02           2.003300E-01
      4.239942E+02           2.857620E-01
      2.191837E+02           2.812760E-01
      1.146989E+02           1.474350E-01
      5.838583E+01           2.524100E-02
      3.114581E+01          -1.870000E-04
      1.664343E+01           5.920000E-04
      8.610121E+00          -3.210000E-04
      4.518963E+00           1.190000E-04
      2.355236E+00          -8.300000E-05
      1.078933E+00           4.200000E-05
      5.495608E-01          -2.100000E-05
      2.648600E-01           9.000000E-06
      3.682742E-02           2.000000E-06
Sr    S
      8.268188E+07          -1.600000E-05
      1.933897E+07          -2.200000E-05
      5.618373E+06          -5.700000E-05
      1.803504E+06          -1.120000E-04
      6.292678E+05          -2.390000E-04
      2.346290E+05          -4.850000E-04
      9.268303E+04          -1.013000E-03
      3.848584E+04          -2.120000E-03
      1.669953E+04          -4.513000E-03
      7.533040E+03          -9.620000E-03
      3.516987E+03          -2.039000E-02
      1.692794E+03          -4.183400E-02
      8.370832E+02          -8.043000E-02
      4.239942E+02          -1.350870E-01
      2.191837E+02          -1.741750E-01
      1.146989E+02          -9.761000E-02
      5.838583E+01           2.048000E-01
      3.114581E+01           5.141550E-01
      1.664343E+01           3.798970E-01
      8.610121E+00           8.152100E-02
      4.518963E+00           2.351000E-03
      2.355236E+00           1.595000E-03
      1.078933E+00          -4.920000E-04
      5.495608E-01           1.740000E-04
      2.648600E-01          -9.500000E-05
      3.682742E-02          -2.300000E-05
Sr    S
      8.268188E+07           6.000000E-06
      1.933897E+07           9.000000E-06
      5.618373E+06           2.400000E-05
      1.803504E+06           4.600000E-05
      6.292678E+05           9.800000E-05
      2.346290E+05           1.990000E-04
      9.268303E+04           4.160000E-04
      3.848584E+04           8.710000E-04
      1.669953E+04           1.857000E-03
      7.533040E+03           3.964000E-03
      3.516987E+03           8.434000E-03
      1.692794E+03           1.741100E-02
      8.370832E+02           3.391800E-02
      4.239942E+02           5.829200E-02
      2.191837E+02           7.845600E-02
      1.146989E+02           4.610400E-02
      5.838583E+01          -1.183720E-01
      3.114581E+01          -3.937650E-01
      1.664343E+01          -3.930400E-01
      8.610121E+00           1.516170E-01
      4.518963E+00           6.846920E-01
      2.355236E+00           4.352330E-01
      1.078933E+00           4.784200E-02
      5.495608E-01          -2.533000E-03
      2.648600E-01           1.483000E-03
      3.682742E-02           2.330000E-04
Sr    S
      1.073300E+00           1.000000E+00
Sr    S
      8.268188E+07           2.000000E-06
      1.933897E+07           3.000000E-06
      5.618373E+06           8.000000E-06
      1.803504E+06           1.600000E-05
      6.292678E+05           3.500000E-05
      2.346290E+05           7.100000E-05
      9.268303E+04           1.480000E-04
      3.848584E+04           3.100000E-04
      1.669953E+04           6.610000E-04
      7.533040E+03           1.410000E-03
      3.516987E+03           3.007000E-03
      1.692794E+03           6.200000E-03
      8.370832E+02           1.214100E-02
      4.239942E+02           2.086300E-02
      2.191837E+02           2.845800E-02
      1.146989E+02           1.658200E-02
      5.838583E+01          -4.403300E-02
      3.114581E+01          -1.575300E-01
      1.664343E+01          -1.609770E-01
      8.610121E+00           6.938700E-02
      4.518963E+00           4.236950E-01
      2.355236E+00           4.702430E-01
      1.078933E+00          -2.172280E-01
      5.495608E-01          -7.435530E-01
      2.648600E-01          -3.649930E-01
      3.682742E-02           5.563000E-03
Sr    S
      2.221200E-01           1.000000E+00
Sr    S
      7.236985E-02           1.000000E+00
Sr    S
      8.268188E+07          -1.000000E-06
      1.933897E+07          -1.000000E-06
      5.618373E+06          -2.000000E-06
      1.803504E+06          -4.000000E-06
      6.292678E+05          -9.000000E-06
      2.346290E+05          -1.800000E-05
      9.268303E+04          -3.800000E-05
      3.848584E+04          -8.000000E-05
      1.669953E+04          -1.710000E-04
      7.533040E+03          -3.650000E-04
      3.516987E+03          -7.800000E-04
      1.692794E+03          -1.606000E-03
      8.370832E+02          -3.152000E-03
      4.239942E+02          -5.404000E-03
      2.191837E+02          -7.412000E-03
      1.146989E+02          -4.266000E-03
      5.838583E+01           1.139200E-02
      3.114581E+01           4.163800E-02
      1.664343E+01           4.210200E-02
      8.610121E+00          -1.760600E-02
      4.518963E+00          -1.205470E-01
      2.355236E+00          -1.391700E-01
      1.078933E+00           7.685600E-02
      5.495608E-01           2.952140E-01
      2.648600E-01           3.106760E-01
      3.682742E-02          -6.187540E-01
Sr    S
      1.778860E-02           1.000000E+00
Sr    S
      8.590000E-03           1.000000E+00
Sr    P
      4.614013E+05           1.900000E-05
      6.805891E+04           9.600000E-05
      1.538283E+04           4.500000E-04
      4.524101E+03           1.970000E-03
      1.594390E+03           7.913000E-03
      6.355255E+02           2.814000E-02
      2.761773E+02           8.452000E-02
      1.277731E+02           2.000030E-01
      6.167574E+01           3.393690E-01
      3.070521E+01           3.470220E-01
      1.544690E+01           1.582620E-01
      7.908714E+00           2.132700E-02
      4.066445E+00           2.765000E-03
      2.100629E+00          -5.130000E-04
      1.041362E+00           4.260000E-04
      5.041130E-01          -2.350000E-04
      2.389502E-01           1.090000E-04
      4.193749E-02           2.600000E-05
Sr    P
      4.614013E+05          -8.000000E-06
      6.805891E+04          -4.000000E-05
      1.538283E+04          -1.890000E-04
      4.524101E+03          -8.290000E-04
      1.594390E+03          -3.354000E-03
      6.355255E+02          -1.205600E-02
      2.761773E+02          -3.723000E-02
      1.277731E+02          -9.165200E-02
      6.167574E+01          -1.652880E-01
      3.070521E+01          -1.657940E-01
      1.544690E+01           5.809700E-02
      7.908714E+00           3.836460E-01
      4.066445E+00           4.622430E-01
      2.100629E+00           2.060330E-01
      1.041362E+00           2.511800E-02
      5.041130E-01           7.400000E-04
      2.389502E-01           9.000000E-05
      4.193749E-02           3.000000E-06
Sr    P
      1.107800E+00           1.000000E+00
Sr    P
      4.614013E+05           3.000000E-06
      6.805891E+04           1.300000E-05
      1.538283E+04           6.100000E-05
      4.524101E+03           2.660000E-04
      1.594390E+03           1.077000E-03
      6.355255E+02           3.879000E-03
      2.761773E+02           1.201700E-02
      1.277731E+02           2.979100E-02
      6.167574E+01           5.420000E-02
      3.070521E+01           5.424800E-02
      1.544690E+01          -3.017400E-02
      7.908714E+00          -1.586830E-01
      4.066445E+00          -2.240700E-01
      2.100629E+00          -5.961700E-02
      1.041362E+00           3.254470E-01
      5.041130E-01           5.219990E-01
      2.389502E-01           2.893780E-01
      4.193749E-02          -2.537000E-03
Sr    P
      2.434200E-01           1.000000E+00
Sr    P
      9.225950E-02           1.000000E+00
Sr    P
      4.614013E+05          -1.000000E-06
      6.805891E+04          -3.000000E-06
      1.538283E+04          -1.400000E-05
      4.524101E+03          -6.000000E-05
      1.594390E+03          -2.420000E-04
      6.355255E+02          -8.730000E-04
      2.761773E+02          -2.703000E-03
      1.277731E+02          -6.711000E-03
      6.167574E+01          -1.220500E-02
      3.070521E+01          -1.224200E-02
      1.544690E+01           7.083000E-03
      7.908714E+00           3.635200E-02
      4.066445E+00           5.274300E-02
      2.100629E+00           1.173400E-02
      1.041362E+00          -8.585400E-02
      5.041130E-01          -1.517990E-01
      2.389502E-01          -1.333120E-01
      4.193749E-02           6.193410E-01
Sr    P
      1.817317E-02           1.000000E+00
Sr    P
      7.880000E-03           1.000000E+00
Sr    D
      1.646140E+03           1.590000E-04
      4.714884E+02           1.426000E-03
      1.786339E+02           8.274000E-03
      7.779537E+01           3.279600E-02
      3.707308E+01           9.222300E-02
      1.884276E+01           1.904360E-01
      9.886786E+00           2.857570E-01
      5.229314E+00           3.176700E-01
      2.753991E+00           2.378750E-01
      1.400831E+00           9.639300E-02
      6.404601E-01           1.344300E-02
      2.914567E-01          -2.490000E-04
      1.362140E-01           3.420000E-04
Sr    D
      1.058400E+00           1.000000E+00
Sr    D
      4.098100E-01           1.000000E+00
Sr    D
      1.646140E+03           2.100000E-05
      4.714884E+02           1.860000E-04
      1.786339E+02           1.084000E-03
      7.779537E+01           4.299000E-03
      3.707308E+01           1.222400E-02
      1.884276E+01           2.526300E-02
      9.886786E+00           3.732400E-02
      5.229314E+00           3.902200E-02
      2.753991E+00           2.048800E-02
      1.400831E+00          -5.097000E-02
      6.404601E-01          -1.606620E-01
      2.914567E-01          -2.239950E-01
      1.362140E-01          -3.017470E-01
Sr    D
      6.439238E-02           1.000000E+00
Sr    D
      2.943358E-02           1.000000E+00
Sr    D
      1.177000E-02           1.000000E+00
Sr    F
      6.395500E-01           1.000000E+00
Sr    F
      1.847717E-01           1.000000E+00
Sr    F
      7.391000E-02           1.000000E+00
end
basis "Cs_aug-cc-pwCVTZ-X2C" SPHERICAL 
#basis SET: (179s,117p,53d,6f) -> [11s,10p,8d,4f]
Cs    S
      7.460140E+07           2.080000E-04
      1.952398E+07           1.930000E-04
      6.478588E+06           5.590000E-04
      2.359270E+06           8.240000E-04
      9.237726E+05           1.693000E-03
      3.792412E+05           2.892000E-03
      1.622639E+05           5.491000E-03
      7.188832E+04           9.974000E-03
      3.288141E+04           1.885400E-02
      1.548478E+04           3.516300E-02
      7.491623E+03           6.548500E-02
      3.714515E+03           1.168730E-01
      1.882708E+03           1.924310E-01
      9.731758E+02           2.672970E-01
      5.116816E+02           2.713070E-01
      2.722626E+02           1.584880E-01
      1.433991E+02           3.499000E-02
      7.836440E+01           4.200000E-04
      4.302518E+01           7.570000E-04
      2.333869E+01          -5.020000E-04
      1.326025E+01           2.900000E-04
      7.510496E+00          -2.200000E-04
      4.180036E+00           1.370000E-04
      2.281579E+00          -7.400000E-05
      1.240649E+00           3.900000E-05
      5.925824E-01          -1.800000E-05
      2.964778E-01           8.000000E-06
      1.435516E-01          -3.000000E-06
      1.860355E-02          -1.000000E-06
Cs    S
      7.460140E+07          -7.400000E-05
      1.952398E+07          -6.800000E-05
      6.478588E+06          -1.970000E-04
      2.359270E+06          -2.920000E-04
      9.237726E+05          -6.000000E-04
      3.792412E+05          -1.028000E-03
      1.622639E+05          -1.960000E-03
      7.188832E+04          -3.585000E-03
      3.288141E+04          -6.848000E-03
      1.548478E+04          -1.298200E-02
      7.491623E+03          -2.485100E-02
      3.714515E+03          -4.646400E-02
      1.882708E+03          -8.313900E-02
      9.731758E+02          -1.331190E-01
      5.116816E+02          -1.683110E-01
      2.722626E+02          -1.013220E-01
      1.433991E+02           1.685660E-01
      7.836440E+01           4.781830E-01
      4.302518E+01           4.119190E-01
      2.333869E+01           1.161250E-01
      1.326025E+01           4.111000E-03
      7.510496E+00           2.394000E-03
      4.180036E+00          -1.187000E-03
      2.281579E+00           4.040000E-04
      1.240649E+00          -2.630000E-04
      5.925824E-01           1.140000E-04
      2.964778E-01          -5.000000E-05
      1.435516E-01           1.900000E-05
      1.860355E-02           8.000000E-06
Cs    S
      7.460140E+07           3.300000E-05
      1.952398E+07           3.100000E-05
      6.478588E+06           8.900000E-05
      2.359270E+06           1.320000E-04
      9.237726E+05           2.710000E-04
      3.792412E+05           4.650000E-04
      1.622639E+05           8.860000E-04
      7.188832E+04           1.623000E-03
      3.288141E+04           3.105000E-03
      1.548478E+04           5.902000E-03
      7.491623E+03           1.134300E-02
      3.714515E+03           2.136300E-02
      1.882708E+03           3.872400E-02
      9.731758E+02           6.347300E-02
      5.116816E+02           8.342900E-02
      2.722626E+02           5.195600E-02
      1.433991E+02          -1.131320E-01
      7.836440E+01          -4.032640E-01
      4.302518E+01          -4.614730E-01
      2.333869E+01           5.780000E-02
      1.326025E+01           6.969970E-01
      7.510496E+00           4.864660E-01
      4.180036E+00           8.893500E-02
      2.281579E+00           4.760000E-03
      1.240649E+00           8.910000E-04
      5.925824E-01          -1.410000E-04
      2.964778E-01          -3.400000E-05
      1.435516E-01          -2.000000E-05
      1.860355E-02          -3.000000E-06
Cs    S
      7.460140E+07          -1.500000E-05
      1.952398E+07          -1.400000E-05
      6.478588E+06          -4.100000E-05
      2.359270E+06          -6.100000E-05
      9.237726E+05          -1.250000E-04
      3.792412E+05          -2.140000E-04
      1.622639E+05          -4.090000E-04
      7.188832E+04          -7.480000E-04
      3.288141E+04          -1.433000E-03
      1.548478E+04          -2.724000E-03
      7.491623E+03          -5.242000E-03
      3.714515E+03          -9.881000E-03
      1.882708E+03          -1.797800E-02
      9.731758E+02          -2.958100E-02
      5.116816E+02          -3.929600E-02
      2.722626E+02          -2.454500E-02
      1.433991E+02           5.645900E-02
      7.836440E+01           2.145880E-01
      4.302518E+01           2.595250E-01
      2.333869E+01          -3.451400E-02
      1.326025E+01          -6.601590E-01
      7.510496E+00          -6.584760E-01
      4.180036E+00           2.767460E-01
      2.281579E+00           8.443850E-01
      1.240649E+00           3.709890E-01
      5.925824E-01           2.656700E-02
      2.964778E-01          -3.240000E-04
      1.435516E-01           5.880000E-04
      1.860355E-02           9.700000E-05
Cs    S
      6.160900E-01           1.000000E+00
Cs    S
      7.460140E+07          -6.000000E-06
      1.952398E+07          -5.000000E-06
      6.478588E+06          -1.500000E-05
      2.359270E+06          -2.300000E-05
      9.237726E+05          -4.700000E-05
      3.792412E+05          -8.100000E-05
      1.622639E+05          -1.540000E-04
      7.188832E+04          -2.810000E-04
      3.288141E+04          -5.390000E-04
      1.548478E+04          -1.024000E-03
      7.491623E+03          -1.973000E-03
      3.714515E+03          -3.715000E-03
      1.882708E+03          -6.776000E-03
      9.731758E+02          -1.113000E-02
      5.116816E+02          -1.487700E-02
      2.722626E+02          -9.196000E-03
      1.433991E+02           2.140700E-02
      7.836440E+01           8.353800E-02
      4.302518E+01           1.010140E-01
      2.333869E+01          -1.087700E-02
      1.326025E+01          -2.980890E-01
      7.510496E+00          -2.973940E-01
      4.180036E+00           1.549110E-01
      2.281579E+00           6.199410E-01
      1.240649E+00           4.485640E-01
      5.925824E-01          -4.106010E-01
      2.964778E-01          -7.486220E-01
      1.435516E-01          -2.587220E-01
      1.860355E-02           2.717000E-03
Cs    S
      1.329200E-01           1.000000E+00
Cs    S
      3.278399E-02           1.000000E+00
Cs    S
      7.460140E+07           1.000000E-06
      1.952398E+07           1.000000E-06
      6.478588E+06           4.000000E-06
      2.359270E+06           5.000000E-06
      9.237726E+05           1.100000E-05
      3.792412E+05           1.900000E-05
      1.622639E+05           3.500000E-05
      7.188832E+04           6.500000E-05
      3.288141E+04           1.240000E-04
      1.548478E+04           2.360000E-04
      7.491623E+03           4.550000E-04
      3.714515E+03           8.580000E-04
      1.882708E+03           1.563000E-03
      9.731758E+02           2.571000E-03
      5.116816E+02           3.432000E-03
      2.722626E+02           2.127000E-03
      1.433991E+02          -4.956000E-03
      7.836440E+01          -1.934100E-02
      4.302518E+01          -2.344300E-02
      2.333869E+01           2.502000E-03
      1.326025E+01           7.030000E-02
      7.510496E+00           7.022400E-02
      4.180036E+00          -3.707000E-02
      2.281579E+00          -1.578460E-01
      1.240649E+00          -1.205680E-01
      5.925824E-01           1.356800E-01
      2.964778E-01           2.516860E-01
      1.435516E-01           2.681250E-01
      1.860355E-02          -4.949350E-01
Cs    S
      1.044324E-02           1.000000E+00
Cs    S
      5.860000E-03           1.000000E+00
Cs    P
      9.103965E+06           7.000000E-06
      1.439487E+06           2.400000E-05
      3.118970E+05           8.300000E-05
      8.166284E+04           2.770000E-04
      2.476061E+04           9.320000E-04
      8.521229E+03           3.129000E-03
      3.272321E+03           1.024100E-02
      1.373967E+03           3.149100E-02
      6.188248E+02           8.634000E-02
      2.943016E+02           1.949030E-01
      1.456739E+02           3.267530E-01
      7.435341E+01           3.401340E-01
      3.857085E+01           1.694750E-01
      2.006308E+01           2.740700E-02
      1.069329E+01           1.141000E-03
      5.626034E+00          -1.510000E-04
      2.893497E+00          -3.000000E-06
      1.497076E+00          -9.700000E-05
      7.668462E-01           4.900000E-05
      3.959692E-01          -3.400000E-05
      2.073552E-01           2.100000E-05
      1.077119E-01          -9.000000E-06
      1.939025E-02          -2.000000E-06
Cs    P
      9.103965E+06          -3.000000E-06
      1.439487E+06          -1.100000E-05
      3.118970E+05          -4.000000E-05
      8.166284E+04          -1.320000E-04
      2.476061E+04          -4.450000E-04
      8.521229E+03          -1.499000E-03
      3.272321E+03          -4.944000E-03
      1.373967E+03          -1.541000E-02
      6.188248E+02          -4.340600E-02
      2.943016E+02          -1.021900E-01
      1.456739E+02          -1.815470E-01
      7.435341E+01          -1.833480E-01
      3.857085E+01           5.685300E-02
      2.006308E+01           4.378670E-01
      1.069329E+01           4.691050E-01
      5.626034E+00           1.523970E-01
      2.893497E+00           1.037300E-02
      1.497076E+00           1.624000E-03
      7.668462E-01          -5.690000E-04
      3.959692E-01           3.570000E-04
      2.073552E-01          -2.240000E-04
      1.077119E-01           9.900000E-05
      1.939025E-02           2.000000E-05
Cs    P
      9.103965E+06           1.000000E-06
      1.439487E+06           5.000000E-06
      3.118970E+05           1.800000E-05
      8.166284E+04           5.900000E-05
      2.476061E+04           2.000000E-04
      8.521229E+03           6.750000E-04
      3.272321E+03           2.230000E-03
      1.373967E+03           6.964000E-03
      6.188248E+02           1.974900E-02
      2.943016E+02           4.684000E-02
      1.456739E+02           8.454900E-02
      7.435341E+01           8.396600E-02
      3.857085E+01          -4.858000E-02
      2.006308E+01          -2.946060E-01
      1.069329E+01          -3.519530E-01
      5.626034E+00           1.487720E-01
      2.893497E+00           6.069200E-01
      1.497076E+00           3.895530E-01
      7.668462E-01           6.530700E-02
      3.959692E-01           4.297000E-03
      2.073552E-01          -5.900000E-05
      1.077119E-01           2.180000E-04
      1.939025E-02           5.500000E-05
Cs    P
      6.109300E-01           1.000000E+00
Cs    P
      1.439487E+06           2.000000E-06
      3.118970E+05           6.000000E-06
      8.166284E+04           2.000000E-05
      2.476061E+04           6.700000E-05
      8.521229E+03           2.260000E-04
      3.272321E+03           7.480000E-04
      1.373967E+03           2.333000E-03
      6.188248E+02           6.634000E-03
      2.943016E+02           1.572400E-02
      1.456739E+02           2.855300E-02
      7.435341E+01           2.807400E-02
      3.857085E+01          -1.754900E-02
      2.006308E+01          -1.072490E-01
      1.069329E+01          -1.274840E-01
      5.626034E+00           7.958900E-02
      2.893497E+00           3.013200E-01
      1.497076E+00           2.256140E-01
      7.668462E-01          -1.840080E-01
      3.959692E-01          -4.682790E-01
      2.073552E-01          -3.996700E-01
      1.077119E-01          -1.513450E-01
      1.939025E-02           1.710000E-03
Cs    P
      1.192500E-01           1.000000E+00
Cs    P
      4.122827E-02           1.000000E+00
Cs    P
      3.118970E+05           1.000000E-06
      8.166284E+04           3.000000E-06
      2.476061E+04           1.100000E-05
      8.521229E+03           3.700000E-05
      3.272321E+03           1.210000E-04
      1.373967E+03           3.790000E-04
      6.188248E+02           1.078000E-03
      2.943016E+02           2.553000E-03
      1.456739E+02           4.640000E-03
      7.435341E+01           4.554000E-03
      3.857085E+01          -2.859000E-03
      2.006308E+01          -1.754100E-02
      1.069329E+01          -2.078700E-02
      5.626034E+00           1.328800E-02
      2.893497E+00           5.062200E-02
      1.497076E+00           3.817700E-02
      7.668462E-01          -3.574100E-02
      3.959692E-01          -8.788600E-02
      2.073552E-01          -9.514300E-02
      1.077119E-01          -8.019800E-02
      1.939025E-02           6.110410E-01
Cs    P
      8.907190E-03           1.000000E+00
Cs    P
      4.090000E-03           1.000000E+00
Cs    D
      6.765064E+03           9.000000E-05
      1.808941E+03           7.630000E-04
      6.600203E+02           4.494000E-03
      2.817317E+02           1.990700E-02
      1.318743E+02           6.631300E-02
      6.551329E+01           1.664910E-01
      3.378097E+01           2.956970E-01
      1.789191E+01           3.510370E-01
      9.737635E+00           2.375780E-01
      5.349124E+00           7.875100E-02
      2.879176E+00           9.897000E-03
      1.529383E+00           1.490000E-04
      7.777339E-01           1.500000E-05
      3.507203E-01          -4.300000E-05
      1.327321E-01           1.000000E-05
      6.655222E-02          -8.000000E-06
Cs    D
      6.765064E+03           3.900000E-05
      1.808941E+03           3.310000E-04
      6.600203E+02           1.954000E-03
      2.817317E+02           8.725000E-03
      1.318743E+02           2.935700E-02
      6.551329E+01           7.503800E-02
      3.378097E+01           1.314840E-01
      1.789191E+01           1.453950E-01
      9.737635E+00           2.139300E-02
      5.349124E+00          -2.312600E-01
      2.879176E+00          -4.097980E-01
      1.529383E+00          -3.496180E-01
      7.777339E-01          -1.436120E-01
      3.507203E-01          -1.956400E-02
      1.327321E-01           2.540000E-04
      6.655222E-02          -4.890000E-04
Cs    D
      6.151900E-01           1.000000E+00
Cs    D
      6.765064E+03           3.000000E-06
      1.808941E+03           2.600000E-05
      6.600203E+02           1.530000E-04
      2.817317E+02           6.840000E-04
      1.318743E+02           2.302000E-03
      6.551329E+01           5.905000E-03
      3.378097E+01           1.031200E-02
      1.789191E+01           1.135100E-02
      9.737635E+00           5.370000E-04
      5.349124E+00          -2.103200E-02
      2.879176E+00          -3.697200E-02
      1.529383E+00          -3.038300E-02
      7.777339E-01           1.509800E-02
      3.507203E-01           9.593000E-02
      1.327321E-01           1.832370E-01
      6.655222E-02           8.224700E-02
Cs    D
      9.734000E-02           1.000000E+00
Cs    D
      3.429666E-02           1.000000E+00
Cs    D
      1.144759E-02           1.000000E+00
Cs    D
      4.580000E-03           1.000000E+00
Cs    F
      4.916285E+00           4.852800E-02
      7.390254E-01           6.289370E-01
      3.109203E-01           4.552360E-01
Cs    F
      2.264600E-01           1.000000E+00
Cs    F
      7.169754E-02           1.000000E+00
Cs    F
      2.868000E-02           1.000000E+00
end
basis "Ba_aug-cc-pwCVTZ-X2C" SPHERICAL 
#basis SET: (172s,113p,50d,6f) -> [11s,10p,8d,4f]
Ba    S
      7.280870E+07           2.280000E-04
      1.897908E+07           2.130000E-04
      6.255870E+06           6.140000E-04
      2.258005E+06           9.210000E-04
      8.746182E+05           1.892000E-03
      3.551537E+05           3.272000E-03
      1.504096E+05           6.238000E-03
      6.604172E+04           1.142600E-02
      2.997602E+04           2.170000E-02
      1.402223E+04           4.066000E-02
      6.742875E+03           7.567700E-02
      3.324776E+03           1.338640E-01
      1.677097E+03           2.145480E-01
      8.636381E+02           2.807740E-01
      4.529436E+02           2.536200E-01
      2.409324E+02           1.202610E-01
      1.268170E+02           1.862900E-02
      6.882000E+01           1.490000E-04
      3.741834E+01           2.040000E-04
      1.951182E+01          -1.630000E-04
      1.103442E+01           5.000000E-05
      6.082562E+00          -3.700000E-05
      3.180549E+00           2.600000E-05
      1.688173E+00          -1.100000E-05
      7.843520E-01           6.000000E-06
      4.201975E-01          -4.000000E-06
      2.062209E-01           1.000000E-06
Ba    S
      7.280870E+07          -8.100000E-05
      1.897908E+07          -7.600000E-05
      6.255870E+06          -2.180000E-04
      2.258005E+06          -3.270000E-04
      8.746182E+05          -6.730000E-04
      3.551537E+05          -1.168000E-03
      1.504096E+05          -2.238000E-03
      6.604172E+04          -4.130000E-03
      2.997602E+04          -7.936000E-03
      1.402223E+04          -1.514300E-02
      6.742875E+03          -2.907700E-02
      3.324776E+03          -5.422700E-02
      1.677097E+03          -9.564000E-02
      8.636381E+02          -1.469460E-01
      4.529436E+02          -1.667950E-01
      2.409324E+02          -5.161000E-02
      1.268170E+02           2.717630E-01
      6.882000E+01           5.140540E-01
      3.741834E+01           3.275150E-01
      1.951182E+01           5.785800E-02
      1.103442E+01          -1.271000E-03
      6.082562E+00           1.378000E-03
      3.180549E+00          -8.210000E-04
      1.688173E+00           2.640000E-04
      7.843520E-01          -1.530000E-04
      4.201975E-01           9.400000E-05
      2.062209E-01          -3.000000E-05
      3.094554E-02          -9.000000E-06
Ba    S
      7.280870E+07           3.700000E-05
      1.897908E+07           3.400000E-05
      6.255870E+06           9.900000E-05
      2.258005E+06           1.480000E-04
      8.746182E+05           3.050000E-04
      3.551537E+05           5.300000E-04
      1.504096E+05           1.016000E-03
      6.604172E+04           1.877000E-03
      2.997602E+04           3.614000E-03
      1.402223E+04           6.914000E-03
      6.742875E+03           1.334100E-02
      3.324776E+03           2.508200E-02
      1.677097E+03           4.492800E-02
      8.636381E+02           7.088400E-02
      4.529436E+02           8.403200E-02
      2.409324E+02           2.489900E-02
      1.268170E+02          -1.911090E-01
      6.882000E+01          -4.773820E-01
      3.741834E+01          -3.665260E-01
      1.951182E+01           3.579970E-01
      1.103442E+01           7.321590E-01
      6.082562E+00           2.832030E-01
      3.180549E+00           2.240200E-02
      1.688173E+00           1.699000E-03
      7.843520E-01          -1.390000E-04
      4.201975E-01          -1.100000E-05
      2.062209E-01          -5.400000E-05
      3.094554E-02          -9.000000E-06
Ba    S
      7.280870E+07          -1.700000E-05
      1.897908E+07          -1.600000E-05
      6.255870E+06          -4.600000E-05
      2.258005E+06          -6.900000E-05
      8.746182E+05          -1.420000E-04
      3.551537E+05          -2.470000E-04
      1.504096E+05          -4.730000E-04
      6.604172E+04          -8.750000E-04
      2.997602E+04          -1.684000E-03
      1.402223E+04          -3.225000E-03
      6.742875E+03          -6.226000E-03
      3.324776E+03          -1.173300E-02
      1.677097E+03          -2.106900E-02
      8.636381E+02          -3.347700E-02
      4.529436E+02          -3.998800E-02
      2.409324E+02          -1.193300E-02
      1.268170E+02           9.839900E-02
      6.882000E+01           2.603910E-01
      3.741834E+01           2.165800E-01
      1.951182E+01          -2.691040E-01
      1.103442E+01          -8.439550E-01
      6.082562E+00          -2.890560E-01
      3.180549E+00           7.740380E-01
      1.688173E+00           6.657400E-01
      7.843520E-01           8.218100E-02
      4.201975E-01          -5.994000E-03
      2.062209E-01           2.337000E-03
      3.094554E-02           3.980000E-04
Ba    S
      7.832200E-01           1.000000E+00
Ba    S
      7.280870E+07          -7.000000E-06
      1.897908E+07          -6.000000E-06
      6.255870E+06          -1.800000E-05
      2.258005E+06          -2.700000E-05
      8.746182E+05          -5.600000E-05
      3.551537E+05          -9.700000E-05
      1.504096E+05          -1.860000E-04
      6.604172E+04          -3.440000E-04
      2.997602E+04          -6.630000E-04
      1.402223E+04          -1.271000E-03
      6.742875E+03          -2.451000E-03
      3.324776E+03          -4.627000E-03
      1.677097E+03          -8.302000E-03
      8.636381E+02          -1.323700E-02
      4.529436E+02          -1.578300E-02
      2.409324E+02          -4.807000E-03
      1.268170E+02           3.977900E-02
      6.882000E+01           1.056950E-01
      3.741834E+01           9.105200E-02
      1.951182E+01          -1.198900E-01
      1.103442E+01          -4.054320E-01
      6.082562E+00          -1.319310E-01
      3.180549E+00           5.075950E-01
      1.688173E+00           7.181350E-01
      7.843520E-01          -1.233220E-01
      4.201975E-01          -8.291700E-01
      2.062209E-01          -4.202820E-01
      3.094554E-02           6.592000E-03
Ba    S
      1.739600E-01           1.000000E+00
Ba    S
      5.836623E-02           1.000000E+00
Ba    S
      7.280870E+07          -2.000000E-06
      1.897908E+07          -2.000000E-06
      6.255870E+06          -5.000000E-06
      2.258005E+06          -8.000000E-06
      8.746182E+05          -1.600000E-05
      3.551537E+05          -2.700000E-05
      1.504096E+05          -5.200000E-05
      6.604172E+04          -9.600000E-05
      2.997602E+04          -1.850000E-04
      1.402223E+04          -3.540000E-04
      6.742875E+03          -6.830000E-04
      3.324776E+03          -1.290000E-03
      1.677097E+03          -2.314000E-03
      8.636381E+02          -3.695000E-03
      4.529436E+02          -4.395000E-03
      2.409324E+02          -1.359000E-03
      1.268170E+02           1.116600E-02
      6.882000E+01           2.952000E-02
      3.741834E+01           2.577700E-02
      1.951182E+01          -3.438900E-02
      1.103442E+01          -1.155980E-01
      6.082562E+00          -3.899100E-02
      3.180549E+00           1.548650E-01
      1.688173E+00           2.335970E-01
      7.843520E-01          -5.499000E-02
      4.201975E-01          -3.518340E-01
      2.062209E-01          -3.726080E-01
      3.094554E-02           6.329290E-01
Ba    S
      1.529838E-02           1.000000E+00
Ba    S
      7.560000E-03           1.000000E+00
Ba    P
      9.971900E+06           7.000000E-06
      1.596582E+06           2.400000E-05
      3.478002E+05           8.100000E-05
      9.121609E+04           2.670000E-04
      2.762193E+04           8.860000E-04
      9.470074E+03           2.944000E-03
      3.619070E+03           9.586000E-03
      1.512548E+03           2.946800E-02
      6.785780E+02           8.130400E-02
      3.217450E+02           1.861060E-01
      1.589154E+02           3.194590E-01
      8.100549E+01           3.456130E-01
      4.207884E+01           1.824220E-01
      2.207220E+01           3.280700E-02
      1.189448E+01           1.581000E-03
      6.372826E+00          -1.350000E-04
      3.340278E+00          -1.100000E-05
      1.741304E+00          -9.500000E-05
      8.494938E-01           3.500000E-05
      4.231431E-01          -2.200000E-05
      2.047898E-01           1.100000E-05
      3.890799E-02           2.000000E-06
Ba    P
      9.971900E+06          -3.000000E-06
      1.596582E+06          -1.100000E-05
      3.478002E+05          -3.900000E-05
      9.121609E+04          -1.280000E-04
      2.762193E+04          -4.250000E-04
      9.470074E+03          -1.417000E-03
      3.619070E+03          -4.649000E-03
      1.512548E+03          -1.447600E-02
      6.785780E+02          -4.099900E-02
      3.217450E+02          -9.774500E-02
      1.589154E+02          -1.777490E-01
      8.100549E+01          -1.897360E-01
      4.207884E+01           3.208800E-02
      2.207220E+01           4.087520E-01
      1.189448E+01           4.808980E-01
      6.372826E+00           1.800370E-01
      3.340278E+00           1.675200E-02
      1.741304E+00           1.415000E-03
      8.494938E-01          -2.630000E-04
      4.231431E-01           1.420000E-04
      2.047898E-01          -8.200000E-05
      3.890799E-02          -1.700000E-05
Ba    P
      9.971900E+06           2.000000E-06
      1.596582E+06           5.000000E-06
      3.478002E+05           1.800000E-05
      9.121609E+04           5.800000E-05
      2.762193E+04           1.940000E-04
      9.470074E+03           6.460000E-04
      3.619070E+03           2.124000E-03
      1.512548E+03           6.624000E-03
      6.785780E+02           1.888300E-02
      3.217450E+02           4.535000E-02
      1.589154E+02           8.376700E-02
      8.100549E+01           8.848300E-02
      4.207884E+01          -3.526400E-02
      2.207220E+01          -2.774050E-01
      1.189448E+01          -3.684380E-01
      6.372826E+00           7.868300E-02
      3.340278E+00           5.810460E-01
      1.741304E+00           4.498880E-01
      8.494938E-01           8.522600E-02
      4.231431E-01          -1.620000E-04
      2.047898E-01           1.540000E-03
      3.890799E-02           2.280000E-04
Ba    P
      7.648100E-01           1.000000E+00
Ba    P
      9.971900E+06           1.000000E-06
      1.596582E+06           2.000000E-06
      3.478002E+05           6.000000E-06
      9.121609E+04           2.100000E-05
      2.762193E+04           6.900000E-05
      9.470074E+03           2.310000E-04
      3.619070E+03           7.600000E-04
      1.512548E+03           2.369000E-03
      6.785780E+02           6.773000E-03
      3.217450E+02           1.626200E-02
      1.589154E+02           3.019900E-02
      8.100549E+01           3.167100E-02
      4.207884E+01          -1.393300E-02
      2.207220E+01          -1.079210E-01
      1.189448E+01          -1.440570E-01
      6.372826E+00           5.430700E-02
      3.340278E+00           3.089970E-01
      1.741304E+00           2.800970E-01
      8.494938E-01          -1.999940E-01
      4.231431E-01          -5.735500E-01
      2.047898E-01          -3.843150E-01
      3.890799E-02           4.660000E-04
Ba    P
      2.115500E-01           1.000000E+00
Ba    P
      8.737023E-02           1.000000E+00
Ba    P
      3.478002E+05           2.000000E-06
      9.121609E+04           5.000000E-06
      2.762193E+04           1.700000E-05
      9.470074E+03           5.600000E-05
      3.619070E+03           1.840000E-04
      1.512548E+03           5.750000E-04
      6.785780E+02           1.642000E-03
      3.217450E+02           3.947000E-03
      1.589154E+02           7.324000E-03
      8.100549E+01           7.695000E-03
      4.207884E+01          -3.444000E-03
      2.207220E+01          -2.632400E-02
      1.189448E+01          -3.539300E-02
      6.372826E+00           1.415600E-02
      3.340278E+00           7.761000E-02
      1.741304E+00           7.315600E-02
      8.494938E-01          -6.325200E-02
      4.231431E-01          -1.691530E-01
      2.047898E-01          -2.017100E-01
      3.890799E-02           6.595760E-01
Ba    P
      1.669166E-02           1.000000E+00
Ba    P
      7.160000E-03           1.000000E+00
Ba    D
      7.517672E+03           8.300000E-05
      1.998512E+03           6.950000E-04
      7.265794E+02           4.091000E-03
      3.094479E+02           1.826300E-02
      1.447396E+02           6.160000E-02
      7.190156E+01           1.574870E-01
      3.712834E+01           2.865450E-01
      1.970733E+01           3.509540E-01
      1.076711E+01           2.491520E-01
      5.948374E+00           8.853400E-02
      3.226291E+00           1.231000E-02
      1.731762E+00           2.040000E-04
      8.941080E-01           3.300000E-05
      4.164399E-01          -5.300000E-05
      1.742349E-01           9.000000E-06
Ba    D
      7.517672E+03           3.700000E-05
      1.998512E+03           3.090000E-04
      7.265794E+02           1.820000E-03
      3.094479E+02           8.190000E-03
      1.447396E+02           2.788200E-02
      7.190156E+01           7.264000E-02
      3.712834E+01           1.307540E-01
      1.970733E+01           1.505900E-01
      1.076711E+01           3.667600E-02
      5.948374E+00          -2.158590E-01
      3.226291E+00          -4.077960E-01
      1.731762E+00          -3.591280E-01
      8.941080E-01          -1.515460E-01
      4.164399E-01          -2.083600E-02
      1.742349E-01           7.800000E-05
Ba    D
      7.423400E-01           1.000000E+00
Ba    D
      7.517672E+03          -7.000000E-06
      1.998512E+03          -5.700000E-05
      7.265794E+02          -3.380000E-04
      3.094479E+02          -1.523000E-03
      1.447396E+02          -5.188000E-03
      7.190156E+01          -1.356100E-02
      3.712834E+01          -2.434300E-02
      1.970733E+01          -2.788900E-02
      1.076711E+01          -4.069000E-03
      5.948374E+00           4.790200E-02
      3.226291E+00           8.860900E-02
      1.731762E+00           7.573300E-02
      8.941080E-01          -3.746800E-02
      4.164399E-01          -2.235870E-01
      1.742349E-01          -3.812320E-01
Ba    D
      1.691300E-01           1.000000E+00
Ba    D
      6.906883E-02           1.000000E+00
Ba    D
      2.659817E-02           1.000000E+00
Ba    D
      1.064000E-02           1.000000E+00
Ba    F
      4.698302E+00           8.208150E-01
      7.727884E-01           4.720730E-01
      2.907597E-01          -9.589800E-02
Ba    F
      2.965900E-01           1.000000E+00
Ba    F
      7.815789E-02           1.000000E+00
Ba    F
      3.126000E-02           1.000000E+00
end
basis "Fr_aug-cc-pwCVTZ-X2C" SPHERICAL 
#basis SET: (222s,170p,76d,29f) -> [12s,11p,9d,5f]
Fr    S
      5.841962E+07           2.087000E-03
      1.554896E+07           1.424000E-03
      5.320530E+06           4.548000E-03
      2.024633E+06           4.814000E-03
      8.445148E+05           1.021300E-02
      3.730241E+05           1.297100E-02
      1.730634E+05           2.347600E-02
      8.309431E+04           3.317100E-02
      4.104705E+04           5.591600E-02
      2.072345E+04           8.306900E-02
      1.066241E+04           1.307570E-01
      5.575961E+03           1.833530E-01
      2.959493E+03           2.376300E-01
      1.592111E+03           2.365050E-01
      8.666476E+02           1.615810E-01
      4.746265E+02           4.961000E-02
      2.656860E+02           6.019000E-03
      1.506398E+02          -1.121000E-03
      8.631357E+01           1.197000E-03
      5.044878E+01          -1.132000E-03
      2.952488E+01           8.810000E-04
      1.706656E+01          -6.730000E-04
      9.888676E+00           5.120000E-04
      5.749367E+00          -3.680000E-04
      3.409961E+00           2.330000E-04
      1.894697E+00          -1.260000E-04
      1.049056E+00           6.600000E-05
      5.410769E-01          -3.100000E-05
      2.759673E-01           1.400000E-05
      1.371735E-01          -5.000000E-06
      2.196141E-02          -2.000000E-06
Fr    S
      5.841962E+07          -8.500000E-04
      1.554896E+07          -5.810000E-04
      5.320530E+06          -1.857000E-03
      2.024633E+06          -1.975000E-03
      8.445148E+05          -4.201000E-03
      3.730241E+05          -5.389000E-03
      1.730634E+05          -9.824000E-03
      8.309431E+04          -1.412800E-02
      4.104705E+04          -2.422600E-02
      2.072345E+04          -3.714400E-02
      1.066241E+04          -6.078400E-02
      5.575961E+03          -9.100000E-02
      2.959493E+03          -1.288420E-01
      1.592111E+03          -1.423000E-01
      8.666476E+02          -7.596300E-02
      4.746265E+02           1.447340E-01
      2.656860E+02           4.126560E-01
      1.506398E+02           4.181940E-01
      8.631357E+01           1.624610E-01
      5.044878E+01           1.792500E-02
      2.952488E+01           7.490000E-04
      1.706656E+01          -3.900000E-05
      9.888676E+00          -2.460000E-04
      5.749367E+00           1.150000E-04
      3.409961E+00          -8.100000E-05
      1.894697E+00           6.000000E-05
      1.049056E+00          -2.800000E-05
      5.410769E-01           1.400000E-05
      2.759673E-01          -7.000000E-06
      1.371735E-01           2.000000E-06
      2.196141E-02           1.000000E-06
Fr    S
      5.841962E+07           4.120000E-04
      1.554896E+07           2.820000E-04
      5.320530E+06           9.020000E-04
      2.024633E+06           9.600000E-04
      8.445148E+05           2.042000E-03
      3.730241E+05           2.624000E-03
      1.730634E+05           4.790000E-03
      8.309431E+04           6.909000E-03
      4.104705E+04           1.188500E-02
      2.072345E+04           1.832000E-02
      1.066241E+04           3.020100E-02
      5.575961E+03           4.574800E-02
      2.959493E+03           6.594400E-02
      1.592111E+03           7.432100E-02
      8.666476E+02           3.653700E-02
      4.746265E+02          -1.144900E-01
      2.656860E+02          -3.728470E-01
      1.506398E+02          -4.759950E-01
      8.631357E+01          -5.442800E-02
      5.044878E+01           6.229850E-01
      2.952488E+01           5.758900E-01
      1.706656E+01           1.505610E-01
      9.888676E+00           8.646000E-03
      5.749367E+00           1.412000E-03
      3.409961E+00          -4.400000E-04
      1.894697E+00          -2.000000E-06
      1.049056E+00          -6.200000E-05
      5.410769E-01           2.200000E-05
      2.759673E-01          -4.000000E-06
      1.371735E-01           3.000000E-06
      2.196141E-02           1.000000E-06
Fr    S
      5.841962E+07          -2.110000E-04
      1.554896E+07          -1.450000E-04
      5.320530E+06          -4.620000E-04
      2.024633E+06          -4.920000E-04
      8.445148E+05          -1.047000E-03
      3.730241E+05          -1.345000E-03
      1.730634E+05          -2.457000E-03
      8.309431E+04          -3.546000E-03
      4.104705E+04          -6.104000E-03
      2.072345E+04          -9.421000E-03
      1.066241E+04          -1.556100E-02
      5.575961E+03          -2.364200E-02
      2.959493E+03          -3.423100E-02
      1.592111E+03          -3.879300E-02
      8.666476E+02          -1.858800E-02
      4.746265E+02           6.595700E-02
      2.656860E+02           2.246380E-01
      1.506398E+02           3.052420E-01
      8.631357E+01           2.513300E-02
      5.044878E+01          -6.834460E-01
      2.952488E+01          -8.032020E-01
      1.706656E+01           1.362240E-01
      9.888676E+00           8.934610E-01
      5.749367E+00           4.544020E-01
      3.409961E+00           5.537800E-02
      1.894697E+00           5.327000E-03
      1.049056E+00          -5.730000E-04
      5.410769E-01           3.640000E-04
      2.759673E-01          -2.190000E-04
      1.371735E-01           5.400000E-05
      2.196141E-02           2.200000E-05
Fr    S
      5.841962E+07           1.000000E-04
      1.554896E+07           6.900000E-05
      5.320530E+06           2.190000E-04
      2.024633E+06           2.330000E-04
      8.445148E+05           4.970000E-04
      3.730241E+05           6.390000E-04
      1.730634E+05           1.166000E-03
      8.309431E+04           1.684000E-03
      4.104705E+04           2.899000E-03
      2.072345E+04           4.476000E-03
      1.066241E+04           7.395000E-03
      5.575961E+03           1.124900E-02
      2.959493E+03           1.629400E-02
      1.592111E+03           1.851800E-02
      8.666476E+02           8.765000E-03
      4.746265E+02          -3.218600E-02
      2.656860E+02          -1.114240E-01
      1.506398E+02          -1.533980E-01
      8.631357E+01          -1.341900E-02
      5.044878E+01           4.031810E-01
      2.952488E+01           4.856120E-01
      1.706656E+01          -1.177240E-01
      9.888676E+00          -9.369640E-01
      5.749367E+00          -7.075050E-01
      3.409961E+00           4.783430E-01
      1.894697E+00           8.932720E-01
      1.049056E+00           3.003290E-01
      5.410769E-01           1.720300E-02
      2.759673E-01           5.640000E-04
      1.371735E-01           7.600000E-05
      2.196141E-02          -2.200000E-05
Fr    S
      2.581800E-01           1.000000E+00
Fr    S
      5.841962E+07           4.000000E-05
      1.554896E+07           2.800000E-05
      5.320530E+06           8.900000E-05
      2.024633E+06           9.400000E-05
      8.445148E+05           2.010000E-04
      3.730241E+05           2.580000E-04
      1.730634E+05           4.710000E-04
      8.309431E+04           6.800000E-04
      4.104705E+04           1.171000E-03
      2.072345E+04           1.809000E-03
      1.066241E+04           2.986000E-03
      5.575961E+03           4.547000E-03
      2.959493E+03           6.581000E-03
      1.592111E+03           7.496000E-03
      8.666476E+02           3.517000E-03
      4.746265E+02          -1.303900E-02
      2.656860E+02          -4.552200E-02
      1.506398E+02          -6.256100E-02
      8.631357E+01          -5.941000E-03
      5.044878E+01           1.715740E-01
      2.952488E+01           2.053230E-01
      1.706656E+01          -4.760600E-02
      9.888676E+00          -4.679660E-01
      5.749367E+00          -3.634490E-01
      3.409961E+00           3.184170E-01
      1.894697E+00           7.839190E-01
      1.049056E+00           3.570240E-01
      5.410769E-01          -5.279840E-01
      2.759673E-01          -7.208500E-01
      1.371735E-01          -2.243380E-01
      2.196141E-02           1.500000E-03
Fr    S
      1.144200E-01           1.000000E+00
Fr    S
      3.953733E-02           1.000000E+00
Fr    S
      5.841962E+07           1.000000E-05
      1.554896E+07           7.000000E-06
      5.320530E+06           2.200000E-05
      2.024633E+06           2.300000E-05
      8.445148E+05           5.000000E-05
      3.730241E+05           6.400000E-05
      1.730634E+05           1.170000E-04
      8.309431E+04           1.690000E-04
      4.104705E+04           2.910000E-04
      2.072345E+04           4.490000E-04
      1.066241E+04           7.420000E-04
      5.575961E+03           1.130000E-03
      2.959493E+03           1.636000E-03
      1.592111E+03           1.863000E-03
      8.666476E+02           8.740000E-04
      4.746265E+02          -3.241000E-03
      2.656860E+02          -1.133200E-02
      1.506398E+02          -1.555600E-02
      8.631357E+01          -1.518000E-03
      5.044878E+01           4.298500E-02
      2.952488E+01           5.122000E-02
      1.706656E+01          -1.160700E-02
      9.888676E+00          -1.200740E-01
      5.749367E+00          -9.234900E-02
      3.409961E+00           8.232900E-02
      1.894697E+00           2.215740E-01
      1.049056E+00           1.028770E-01
      5.410769E-01          -1.876440E-01
      2.759673E-01          -2.939990E-01
      1.371735E-01          -2.413720E-01
      2.196141E-02           6.100700E-01
Fr    S
      1.140783E-02           1.000000E+00
Fr    S
      5.930000E-03           1.000000E+00
Fr    P
      4.912162E+07           1.400000E-05
      1.364967E+07           2.100000E-05
      4.166550E+06           6.300000E-05
      1.375259E+06           1.360000E-04
      4.828222E+05           3.290000E-04
      1.786324E+05           7.600000E-04
      6.927950E+04           1.821000E-03
      2.810969E+04           4.403000E-03
      1.193623E+04           1.086000E-02
      5.308327E+03           2.669500E-02
      2.470038E+03           6.349900E-02
      1.198442E+03           1.378910E-01
      6.026922E+02           2.511310E-01
      3.123572E+02           3.363750E-01
      1.655123E+02           2.688450E-01
      8.896944E+01           9.532000E-02
      4.908559E+01           8.793000E-03
      2.721882E+01           7.190000E-04
      1.483969E+01          -4.320000E-04
      8.166827E+00           1.610000E-04
      4.399623E+00          -1.180000E-04
      2.333155E+00           8.000000E-05
      1.225445E+00          -4.300000E-05
      6.259631E-01           2.800000E-05
      3.198598E-01          -1.700000E-05
      1.649689E-01           1.000000E-05
      8.489433E-02          -4.000000E-06
      1.542967E-02          -1.000000E-06
Fr    P
      4.912162E+07          -7.000000E-06
      1.364967E+07          -1.100000E-05
      4.166550E+06          -3.300000E-05
      1.375259E+06          -7.100000E-05
      4.828222E+05          -1.740000E-04
      1.786324E+05          -4.020000E-04
      6.927950E+04          -9.660000E-04
      2.810969E+04          -2.347000E-03
      1.193623E+04          -5.832000E-03
      5.308327E+03          -1.450500E-02
      2.470038E+03          -3.518500E-02
      1.198442E+03          -7.877100E-02
      6.026922E+02          -1.496330E-01
      3.123572E+02          -2.056290E-01
      1.655123E+02          -1.041240E-01
      8.896944E+01           2.421150E-01
      4.908559E+01           5.130770E-01
      2.721882E+01           3.236260E-01
      1.483969E+01           6.340200E-02
      8.166827E+00           2.145000E-03
      4.399623E+00           4.730000E-04
      2.333155E+00          -2.950000E-04
      1.225445E+00           7.600000E-05
      6.259631E-01          -5.800000E-05
      3.198598E-01           3.500000E-05
      1.649689E-01          -1.900000E-05
      8.489433E-02           9.000000E-06
      1.542967E-02           2.000000E-06
Fr    P
      4.912162E+07          -4.000000E-06
      1.364967E+07          -6.000000E-06
      4.166550E+06          -1.700000E-05
      1.375259E+06          -3.700000E-05
      4.828222E+05          -8.900000E-05
      1.786324E+05          -2.060000E-04
      6.927950E+04          -4.970000E-04
      2.810969E+04          -1.208000E-03
      1.193623E+04          -3.007000E-03
      5.308327E+03          -7.499000E-03
      2.470038E+03          -1.828300E-02
      1.198442E+03          -4.124500E-02
      6.026922E+02          -7.924700E-02
      3.123572E+02          -1.096210E-01
      1.655123E+02          -4.318100E-02
      8.896944E+01           2.005460E-01
      4.908559E+01           4.454860E-01
      2.721882E+01           1.622560E-01
      1.483969E+01          -4.748050E-01
      8.166827E+00          -5.824210E-01
      4.399623E+00          -1.759750E-01
      2.333155E+00          -9.708000E-03
      1.225445E+00          -1.470000E-03
      6.259631E-01           5.760000E-04
      3.198598E-01          -2.810000E-04
      1.649689E-01           1.730000E-04
      8.489433E-02          -7.700000E-05
      1.542967E-02          -1.800000E-05
Fr    P
      4.912162E+07           2.000000E-06
      1.364967E+07           3.000000E-06
      4.166550E+06           8.000000E-06
      1.375259E+06           1.700000E-05
      4.828222E+05           4.000000E-05
      1.786324E+05           9.400000E-05
      6.927950E+04           2.250000E-04
      2.810969E+04           5.480000E-04
      1.193623E+04           1.366000E-03
      5.308327E+03           3.408000E-03
      2.470038E+03           8.321000E-03
      1.198442E+03           1.880100E-02
      6.026922E+02           3.624200E-02
      3.123572E+02           5.017500E-02
      1.655123E+02           1.832300E-02
      8.896944E+01          -1.016570E-01
      4.908559E+01          -2.294080E-01
      2.721882E+01          -6.108600E-02
      1.483969E+01           3.488050E-01
      8.166827E+00           5.015420E-01
      4.399623E+00          -1.087570E-01
      2.333155E+00          -6.643070E-01
      1.225445E+00          -4.069640E-01
      6.259631E-01          -6.421700E-02
      3.198598E-01          -3.581000E-03
      1.649689E-01          -1.240000E-04
      8.489433E-02          -6.200000E-05
      1.542967E-02          -3.400000E-05
Fr    P
      5.372800E-01           1.000000E+00
Fr    P
      4.912162E+07          -1.000000E-06
      1.364967E+07          -1.000000E-06
      4.166550E+06          -3.000000E-06
      1.375259E+06          -6.000000E-06
      4.828222E+05          -1.400000E-05
      1.786324E+05          -3.300000E-05
      6.927950E+04          -8.000000E-05
      2.810969E+04          -1.940000E-04
      1.193623E+04          -4.830000E-04
      5.308327E+03          -1.203000E-03
      2.470038E+03          -2.941000E-03
      1.198442E+03          -6.640000E-03
      6.026922E+02          -1.282600E-02
      3.123572E+02          -1.772000E-02
      1.655123E+02          -6.441000E-03
      8.896944E+01           3.679400E-02
      4.908559E+01           8.264500E-02
      2.721882E+01           2.112700E-02
      1.483969E+01          -1.360560E-01
      8.166827E+00          -1.989730E-01
      4.399623E+00           7.030700E-02
      2.333155E+00           3.665810E-01
      1.225445E+00           2.493770E-01
      6.259631E-01          -2.297300E-01
      3.198598E-01          -5.119720E-01
      1.649689E-01          -3.753500E-01
      8.489433E-02          -1.107400E-01
      1.542967E-02           1.375000E-03
Fr    P
      1.011200E-01           1.000000E+00
Fr    P
      3.183308E-02           1.000000E+00
Fr    P
      1.375259E+06           1.000000E-06
      4.828222E+05           2.000000E-06
      1.786324E+05           5.000000E-06
      6.927950E+04           1.300000E-05
      2.810969E+04           3.200000E-05
      1.193623E+04           8.000000E-05
      5.308327E+03           2.000000E-04
      2.470038E+03           4.890000E-04
      1.198442E+03           1.104000E-03
      6.026922E+02           2.132000E-03
      3.123572E+02           2.947000E-03
      1.655123E+02           1.068000E-03
      8.896944E+01          -6.124000E-03
      4.908559E+01          -1.377500E-02
      2.721882E+01          -3.483000E-03
      1.483969E+01           2.275900E-02
      8.166827E+00           3.347300E-02
      4.399623E+00          -1.230900E-02
      2.333155E+00          -6.295800E-02
      1.225445E+00          -4.417900E-02
      6.259631E-01           4.645400E-02
      3.198598E-01           9.700100E-02
      1.649689E-01           1.134410E-01
      8.489433E-02           5.836900E-02
      1.542967E-02          -5.932970E-01
Fr    P
      7.522970E-03           1.000000E+00
Fr    P
      3.670000E-03           1.000000E+00
Fr    D
      5.181825E+04           4.100000E-05
      1.246115E+04           2.860000E-04
      4.152477E+03           1.558000E-03
      1.654366E+03           7.079000E-03
      7.398210E+02           2.669800E-02
      3.571356E+02           8.148800E-02
      1.820806E+02           1.922770E-01
      9.615766E+01           3.237770E-01
      5.212649E+01           3.462380E-01
      2.849205E+01           1.916080E-01
      1.561816E+01           4.331600E-02
      8.627243E+00           3.536000E-03
      4.744161E+00           8.300000E-05
      2.554660E+00           1.090000E-04
      1.345286E+00          -6.100000E-05
      6.757286E-01           3.000000E-05
      3.043064E-01          -1.000000E-05
      1.087484E-01           4.000000E-06
Fr    D
      5.181825E+04           2.200000E-05
      1.246115E+04           1.560000E-04
      4.152477E+03           8.510000E-04
      1.654366E+03           3.898000E-03
      7.398210E+02           1.479100E-02
      3.571356E+02           4.596200E-02
      1.820806E+02           1.097740E-01
      9.615766E+01           1.825000E-01
      5.212649E+01           1.571060E-01
      2.849205E+01          -9.598300E-02
      1.561816E+01          -3.981890E-01
      8.627243E+00          -4.244670E-01
      4.744161E+00          -1.894120E-01
      2.554660E+00          -2.980100E-02
      1.345286E+00          -9.790000E-04
      6.757286E-01           3.900000E-05
      3.043064E-01           5.400000E-05
Fr    D
      5.181825E+04          -9.000000E-06
      1.246115E+04          -6.300000E-05
      4.152477E+03          -3.420000E-04
      1.654366E+03          -1.572000E-03
      7.398210E+02          -5.965000E-03
      3.571356E+02          -1.863300E-02
      1.820806E+02          -4.453900E-02
      9.615766E+01          -7.406100E-02
      5.212649E+01          -5.900700E-02
      2.849205E+01           6.276800E-02
      1.561816E+01           2.096350E-01
      8.627243E+00           2.125010E-01
      4.744161E+00          -6.975000E-02
      2.554660E+00          -4.050290E-01
      1.345286E+00          -4.482410E-01
      6.757286E-01          -2.175040E-01
      3.043064E-01          -3.499100E-02
      1.087484E-01           1.700000E-05
Fr    D
      5.525600E-01           1.000000E+00
Fr    D
      5.181825E+04          -1.000000E-06
      1.246115E+04          -5.000000E-06
      4.152477E+03          -2.900000E-05
      1.654366E+03          -1.350000E-04
      7.398210E+02          -5.080000E-04
      3.571356E+02          -1.600000E-03
      1.820806E+02          -3.794000E-03
      9.615766E+01          -6.381000E-03
      5.212649E+01          -4.899000E-03
      2.849205E+01           5.375000E-03
      1.561816E+01           1.888200E-02
      8.627243E+00           1.763500E-02
      4.744161E+00          -6.787000E-03
      2.554660E+00          -4.389300E-02
      1.345286E+00          -4.308600E-02
      6.757286E-01          -9.079000E-03
      3.043064E-01           9.693500E-02
      1.087484E-01           1.753010E-01
Fr    D
      9.763000E-02           1.000000E+00
Fr    D
      4.799393E-02           1.000000E+00
Fr    D
      1.699360E-02           1.000000E+00
Fr    D
      6.800000E-03           1.000000E+00
Fr    F
      1.319488E+03           3.490000E-04
      4.458355E+02           3.188000E-03
      1.892571E+02           1.777400E-02
      9.006591E+01           6.395300E-02
      4.586208E+01           1.595060E-01
      2.448268E+01           2.720690E-01
      1.340789E+01           3.203800E-01
      7.693001E+00           2.421690E-01
      4.812293E+00           1.373980E-01
      2.859230E+00           7.476600E-02
      1.424744E+00           1.238600E-02
      5.498615E-01           3.400000E-05
      2.408297E-01           7.700000E-05
Fr    F
      1.319488E+03          -3.000000E-05
      4.458355E+02          -3.030000E-04
      1.892571E+02          -1.550000E-03
      9.006591E+01          -6.083000E-03
      4.586208E+01          -1.373200E-02
      2.448268E+01          -2.649500E-02
      1.340789E+01          -2.033100E-02
      7.693001E+00          -3.066300E-02
      4.812293E+00           2.895800E-02
      2.859230E+00          -5.052000E-03
      1.424744E+00           7.963400E-02
      5.498615E-01           6.734620E-01
      2.408297E-01           3.539010E-01
Fr    F
      2.088200E-01           1.000000E+00
Fr    F
      6.593848E-02           1.000000E+00
Fr    F
      2.638000E-02           1.000000E+00
end
basis "Ra_aug-cc-pwCVTZ-X2C" SPHERICAL 
#basis SET: (222s,165p,77d,29f) -> [12s,11p,9d,5f]
Ra    S
      5.805656E+07           2.230000E-03
      1.545247E+07           1.509000E-03
      5.287052E+06           4.834000E-03
      2.011599E+06           5.068000E-03
      8.393487E+05           1.078600E-02
      3.712812E+05           1.350000E-02
      1.729445E+05           2.442200E-02
      8.364979E+04           3.367200E-02
      4.176736E+04           5.643900E-02
      2.135028E+04           8.189500E-02
      1.111898E+04           1.283930E-01
      5.880908E+03           1.774400E-01
      3.159171E+03           2.302330E-01
      1.722943E+03           2.316550E-01
      9.514431E+02           1.686920E-01
      5.297214E+02           5.921100E-02
      3.001877E+02           9.655000E-03
      1.725105E+02          -1.668000E-03
      1.002780E+02           1.803000E-03
      5.864764E+01          -1.683000E-03
      3.512999E+01           1.367000E-03
      2.094890E+01          -1.005000E-03
      1.196383E+01           7.290000E-04
      7.114402E+00          -5.290000E-04
      4.210580E+00           3.260000E-04
      2.345828E+00          -1.810000E-04
      1.317737E+00           9.800000E-05
      6.835182E-01          -4.900000E-05
      3.628718E-01           2.500000E-05
      1.861521E-01          -9.000000E-06
      3.241288E-02          -2.000000E-06
Ra    S
      5.805656E+07          -9.130000E-04
      1.545247E+07          -6.190000E-04
      5.287052E+06          -1.983000E-03
      2.011599E+06          -2.091000E-03
      8.393487E+05          -4.460000E-03
      3.712812E+05          -5.640000E-03
      1.729445E+05          -1.027700E-02
      8.364979E+04          -1.442900E-02
      4.176736E+04          -2.458800E-02
      2.135028E+04          -3.682200E-02
      1.111898E+04          -5.991600E-02
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Ra    S
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Ra    S
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Ra    S
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Ra    S
      7.313600E-01           1.000000E+00
Ra    S
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      1.545247E+07          -3.100000E-05
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Ra    S
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Ra    S
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Ra    S
      5.805656E+07          -1.400000E-05
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      5.287052E+06          -2.900000E-05
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Ra    S
      1.564270E-02           1.000000E+00
Ra    S
      7.550000E-03           1.000000E+00
Ra    P
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      4.350178E+06           6.400000E-05
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      3.082568E-01          -2.000000E-05
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Ra    P
      5.005647E+07          -8.000000E-06
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      4.350178E+06          -3.400000E-05
      1.447516E+06          -7.200000E-05
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Ra    P
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      1.410790E+07          -6.000000E-06
      4.350178E+06          -1.700000E-05
      1.447516E+06          -3.700000E-05
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Ra    P
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Ra    P
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Ra    P
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      1.410790E+07           1.000000E-06
      4.350178E+06           3.000000E-06
      1.447516E+06           6.000000E-06
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      3.082568E-01           5.814270E-01
      1.512634E-01           2.890360E-01
      2.839215E-02          -3.093000E-03
Ra    P
      1.575600E-01           1.000000E+00
Ra    P
      5.933051E-02           1.000000E+00
Ra    P
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      5.114589E+05           4.000000E-06
      1.901829E+05           9.000000E-06
      7.403649E+04           2.100000E-05
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      5.692232E+03           3.100000E-04
      2.646716E+03           7.570000E-04
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      6.445830E+02           3.334000E-03
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      1.767715E+02           2.125000E-03
      9.480990E+01          -9.153000E-03
      5.193330E+01          -2.236100E-02
      2.853297E+01          -6.829000E-03
      1.532381E+01           3.865700E-02
      8.319683E+00           5.445100E-02
      4.388979E+00          -2.718800E-02
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      3.082568E-01           2.067420E-01
      1.512634E-01           1.623160E-01
      2.839215E-02          -6.224280E-01
Ra    P
      1.314716E-02           1.000000E+00
Ra    P
      6.090000E-03           1.000000E+00
Ra    D
      5.732116E+04           3.700000E-05
      1.372119E+04           2.600000E-04
      4.549492E+03           1.412000E-03
      1.804583E+03           6.419000E-03
      8.042580E+02           2.436400E-02
      3.873341E+02           7.527400E-02
      1.971535E+02           1.812800E-01
      1.040715E+02           3.141150E-01
      5.641271E+01           3.513980E-01
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      9.408890E+00           4.560000E-03
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      7.668543E-01           3.200000E-05
      3.553001E-01          -1.100000E-05
      1.443556E-01           5.000000E-06
Ra    D
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      1.372119E+04           1.430000E-04
      4.549492E+03           7.760000E-04
      1.804583E+03           3.553000E-03
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      1.971535E+02           1.040950E-01
      1.040715E+02           1.786300E-01
      5.641271E+01           1.677040E-01
      3.089077E+01          -6.797000E-02
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      7.668543E-01           3.000000E-05
      3.553001E-01           6.500000E-05
      1.443556E-01          -2.000000E-06
Ra    D
      5.732116E+04           8.000000E-06
      1.372119E+04           5.900000E-05
      4.549492E+03           3.200000E-04
      1.804583E+03           1.468000E-03
      8.042580E+02           5.607000E-03
      3.873341E+02           1.770100E-02
      1.971535E+02           4.328300E-02
      1.040715E+02           7.429100E-02
      5.641271E+01           6.568100E-02
      3.089077E+01          -5.111100E-02
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      7.668543E-01           2.298780E-01
      3.553001E-01           3.703400E-02
      1.443556E-01          -7.100000E-05
Ra    D
      6.474300E-01           1.000000E+00
Ra    D
      5.732116E+04          -1.000000E-06
      1.372119E+04          -1.000000E-05
      4.549492E+03          -5.600000E-05
      1.804583E+03          -2.600000E-04
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      5.641271E+01          -1.149300E-02
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      1.698972E+01           3.770800E-02
      9.408890E+00           4.129000E-02
      5.199178E+00          -1.202700E-02
      2.825652E+00          -8.545500E-02
      1.504059E+00          -1.023020E-01
      7.668543E-01          -8.099000E-03
      3.553001E-01           1.789790E-01
      1.443556E-01           3.698910E-01
Ra    D
      1.377000E-01           1.000000E+00
Ra    D
      5.623521E-02           1.000000E+00
Ra    D
      2.145329E-02           1.000000E+00
Ra    D
      8.580000E-03           1.000000E+00
Ra    F
      1.386290E+03           3.390000E-04
      4.678367E+02           3.092000E-03
      1.984969E+02           1.733300E-02
      9.449036E+01           6.256400E-02
      4.841615E+01           1.540670E-01
      2.624028E+01           2.600440E-01
      1.462254E+01           3.149450E-01
      8.273560E+00           2.736900E-01
      4.659000E+00           1.576820E-01
      2.552918E+00           5.113800E-02
      1.277660E+00           5.695000E-03
      5.603488E-01          -1.000000E-05
      2.420242E-01           3.800000E-05
Ra    F
      1.386290E+03           3.200000E-05
      4.678367E+02           3.410000E-04
      1.984969E+02           1.717000E-03
      9.449036E+01           6.889000E-03
      4.841615E+01           1.500400E-02
      2.624028E+01           2.958300E-02
      1.462254E+01           2.302100E-02
      8.273560E+00           3.398400E-02
      4.659000E+00          -3.690300E-02
      2.552918E+00           6.504000E-03
      1.277660E+00          -1.435690E-01
      5.603488E-01          -6.861380E-01
      2.420242E-01          -2.779190E-01
Ra    F
      2.469300E-01           1.000000E+00
Ra    F
      8.044955E-02           1.000000E+00
Ra    F
      3.218000E-02           1.000000E+00
end
