basis/libraries.bse/stuttgart_rlc

# BSE Version v0.8.4+29.gb6d6a1b
# Data downloaded at 2019-06-24T14:04
# stuttgart rlc version number 0
# Description: Stuttgart RLC ECP + Valence basis
# Role: orbital
#
# ********************************************************************************
# If you downloaded data from the basis set
# exchange or used the basis set exchange python library, please cite:
# ********************************************************************************
#     Pritchard, Benjamin P., Altarawy, Doaa, Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     Manuscript in preparation
#
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem., 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
#
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model., 47, 1045-1052 (2007)
#     10.1021/ci600510j
#
# ********************************************************************************
# References for the basis set
# ********************************************************************************
# Li,Na,K
#     ## DZ      Double Zeta Basis Set designed for an ECP
#     Poppe, J.
#     unpublished
#     As referenced in the Stuttgart ECP database/website
#
#     Fuentealba, P.
#     unpublished
#     1988
#     As referenced in the Stuttgart ECP database/website
#
#     ## Stuttgart RLC ECP
#     Fuentealba, Patricio, Preuss, Heinzwerner, Stoll, Hermann, Szentpály,
#             László Von
#     A proper account of core-polarization with pseudopotentials: single
#             valence-electron alkali compounds
#     Chem. Phys. Lett., 89, 418-422 (1982)
#     10.1016/0009-2614(82)80012-2
#
# Be,Mg,Ca,Sr,Ba
#     ## DZ      Double Zeta Basis Set designed for an ECP
#     Poppe, J.
#     unpublished
#     As referenced in the Stuttgart ECP database/website
#
#     Fuentealba, P.
#     unpublished
#     1988
#     As referenced in the Stuttgart ECP database/website
#
#     ## Stuttgart RLC ECP
#     Fuentealba, P, Szentpaly, L von, Preuss, H, Stoll, H
#     Pseudopotential calculations for alkaline-earth atoms
#     J. Phys. B-At. Mol. Phys., 18, 1287-1296 (1985)
#     10.1088/0022-3700/18/7/010
#
# B-F,Al-Cl,Ge-Br,Sn-I
#     ## DZ      Double Zeta Basis Set designed for an ECP
#     Bergner, Andreas, Dolg, Michael, Küchle, Wolfgang, Stoll, Hermann,
#             Preuß, Heinzwerner
#     Ab initio energy-adjusted pseudopotentials for elements of groups
#             13-17
#     Mol. Phys., 80, 1431-1441 (1993)
#     10.1080/00268979300103121
#
#     ## Stuttgart RLC ECP
#     Bergner, Andreas, Dolg, Michael, Küchle, Wolfgang, Stoll, Hermann,
#             Preuß, Heinzwerner
#     Ab initio energy-adjusted pseudopotentials for elements of groups
#             13-17
#     Mol. Phys., 80, 1431-1441 (1993)
#     10.1080/00268979300103121
#
# Ne,Ar,Kr,Xe
#     ## DZ      Double Zeta Basis Set designed for an ECP
#     Nicklass, Andreas, Dolg, Michael, Stoll, Hermann, Preuss, Heinzwerner
#     Ab initio energy‐adjusted pseudopotentials for the noble gases Ne
#             through Xe: Calculation of atomic dipole and quadrupole
#             polarizabilities
#     J. Chem. Phys., 102, 8942-8952 (1995)
#     10.1063/1.468948
#
#     ## Stuttgart RLC ECP
#     Nicklass, Andreas, Dolg, Michael, Stoll, Hermann, Preuss, Heinzwerner
#     Ab initio energy‐adjusted pseudopotentials for the noble gases Ne
#             through Xe: Calculation of atomic dipole and quadrupole
#             polarizabilities
#     J. Chem. Phys., 102, 8942-8952 (1995)
#     10.1063/1.468948
#
# Zn
#     ## DZ      Double Zeta Basis Set designed for an ECP
#     (...no reference...)
#
#     ## Stuttgart RLC ECP
#     Igel-Mann, Gundrun
#     Semiempirische Pseudopotentiale : Unters. an Hauptgruppenelementen u.
#             Nebengruppenelementen mit abgeschlossener d-Schale
#     Doktorarbeit, Institut für Theoretische Chemie, Universität Stuttgart
#     As referenced in the Stuttgart ECP database/website
#
# Ga,In
#     ## DZ      Double Zeta Basis Set designed for an ECP
#     Bergner, Andreas, Dolg, Michael, Küchle, Wolfgang, Stoll, Hermann,
#             Preuß, Heinzwerner
#     Ab initio energy-adjusted pseudopotentials for elements of groups
#             13-17
#     Mol. Phys., 80, 1431-1441 (1993)
#     10.1080/00268979300103121
#
#     ## Stuttgart RLC ECP
#     Leininger, Thierry, Berning, Andreas, Nicklass, Andreas, Stoll,
#             Hermann, Werner, Hans-Joachim, Flad, Heinz-Jürgen
#     Spin-orbit interaction in heavy group 13 atoms and TlAr
#     Chemical Physics, 217, 19-27 (1997)
#     10.1016/s0301-0104(97)00043-8
#
#     Bergner, Andreas, Dolg, Michael, Küchle, Wolfgang, Stoll, Hermann,
#             Preuß, Heinzwerner
#     Ab initio energy-adjusted pseudopotentials for elements of groups
#             13-17
#     Mol. Phys., 80, 1431-1441 (1993)
#     10.1080/00268979300103121
#
# Rb
#     ## DZ      Double Zeta Basis Set designed for an ECP
#     Poppe, J.
#     unpublished
#     As referenced in the Stuttgart ECP database/website
#
#     Fuentealba, P.
#     unpublished
#     1988
#     As referenced in the Stuttgart ECP database/website
#
#     ## Stuttgart RLC ECP
#     Szentpály, László Von, Fuentealba, Patricio, Preuss, Heinzwerner,
#             Stoll, Hermann
#     Pseudopotential calculations on Rb+2, Cs+2, RbH+, CsH+ and the mixed
#             alkali dimer ions
#     Chem. Phys. Lett., 93, 555-559 (1982)
#     10.1016/0009-2614(82)83728-7
#
#     Fuentealba, P., Stoll, H., Szentpály, L. Von, Schwerdtfeger, P.,
#             Preuss, H.
#     On the reliability of semi-empirical pseudopotentials: simulation of
#             Hartree-Fock and Dirac-Fock results
#     J. Phys. B, 16, L323-L328 (1983)
#     10.1088/0022-3700/16/11/001
#
# Cs
#     ## DZ      Double Zeta Basis Set designed for an ECP
#     Poppe, J.
#     unpublished
#     As referenced in the Stuttgart ECP database/website
#
#     Fuentealba, P.
#     unpublished
#     1988
#     As referenced in the Stuttgart ECP database/website
#
#     ## Stuttgart RLC ECP
#     Szentpály, László Von, Fuentealba, Patricio, Preuss, Heinzwerner,
#             Stoll, Hermann
#     Pseudopotential calculations on Rb+2, Cs+2, RbH+, CsH+ and the mixed
#             alkali dimer ions
#     Chem. Phys. Lett., 93, 555-559 (1982)
#     10.1016/0009-2614(82)83728-7
#
# Hg-Rn
#     ## DZ      Double Zeta Basis Set designed for an ECP
#     Küchle, W., Dolg, M., Stoll, H., Preuss, H.
#     Ab initiopseudopotentials for Hg through Rn
#     Mol. Phys., 74, 1245-1263 (1991)
#     10.1080/00268979100102941
#
#     ## Stuttgart RLC ECP
#     Küchle, W., Dolg, M., Stoll, H., Preuss, H.
#     Ab initiopseudopotentials for Hg through Rn
#     Mol. Phys., 74, 1245-1263 (1991)
#     10.1080/00268979100102941
#
# Ac-Lr
#     ## DZ      Double Zeta Basis Set designed for an ECP
#     (...no reference...)
#
#     ## Stuttgart RLC ECP
#     (...no reference...)
#
# #
basis "Li_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Li    S
      3.0473270              0.0065550
      0.6035790             -0.1404010
      0.0691380              0.6237560
Li    S
      0.0265020              1.0000000
Li    P
      0.8371580              0.0435070
      0.1719410              0.2296490
      0.0520790              0.5629490
Li    P
      0.0191720              1.0000000
end


ecp "Li_stuttgart rlc"
Li nelec 2
Li ul
2       1.000000000            0.000000000
Li S
2       1.276000000            5.786000000
Li P
2       1.607000000           -1.065000000
end
basis "Be_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Be    S
      1.1106443             -0.1718890
      0.3714650              0.1291580
      0.1326780              0.6148590
Be    S
      0.0477510              1.0000000
Be    P
      2.8845777              0.0315250
      0.7801440              0.1438880
      0.2200610              0.4846120
Be    P
      0.0664070              1.0000000
end


ecp "Be_stuttgart rlc"
Be nelec 2
Be ul
2       1.000000000            0.000000000
Be S
2       2.653000000           13.325000000
Be P
2       3.120000000           -1.574000000
end
basis "B_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
B    S
      1.6905600             -0.2722080
      0.9836660              0.2011280
      0.2569790              0.5777630
B    S
      0.0950380              1.0000000
B    P
      5.3999130              0.0349410
      1.2712170              0.1868340
      0.3619090              0.4684630
B    P
      0.1076610              1.0000000
end


ecp "B_stuttgart rlc"
B nelec 2
B ul
2       1.000000000            0.000000000
B S
2       4.506100000           23.992960000
B P
2       5.229500000           -1.766724000
B D
2       0.010800000           -0.001754000
end
basis "C_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
C    S
      2.2631010              0.4965480
      1.7731860             -0.4223910
      0.4086190             -0.5993560
C    S
      0.1391750              1.0000000
C    P
      8.3830250             -0.0385440
      1.9931320             -0.2031850
      0.5595430             -0.4981760
C    P
      0.1561260              1.0000000
end


ecp "C_stuttgart rlc"
C nelec 2
C ul
2       1.000000000            0.000000000
C S
2       6.401052000           33.121638000
C P
2       7.307747000           -1.986257000
C D
2       5.961796000           -9.454318000
end
basis "N_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
N    S
     32.6568390             -0.0137940
      4.5891890              0.1291290
      0.7062510             -0.5680940
N    S
      0.2163990              1.0000000
N    P
     12.1469740             -0.0412960
      2.8842650             -0.2140090
      0.8085640             -0.5027830
N    P
      0.2221630              1.0000000
end


ecp "N_stuttgart rlc"
N nelec 2
N ul
2       1.000000000            0.000000000
N S
2       7.977232000           38.533831000
N P
2      10.183854000           -2.550810000
N D
2      11.559947000           -2.995545000
end
basis "O_stuttgart rlc"
#basis SET: (4s,5p) -> [2s,3p]
O    S
     47.1055180             -0.0144080
      5.9113460              0.1295680
      0.9764830             -0.5631180
O    S
      0.2960700              1.0000000
O    P
     16.6922190              0.0448560
      3.9007020              0.2226130
      1.0782530              0.5001880
O    P
      0.2841890              1.0000000
O    P
      0.0702000              1.0000000
end


ecp "O_stuttgart rlc"
O nelec 2
O ul
2       1.000000000            0.000000000
O S
2      10.445670000           50.771069000
O P
2      18.045174000           -4.903551000
O D
2       8.164798000           -3.312124000
end
basis "F_stuttgart rlc"
#basis SET: (4s,5p) -> [2s,3p]
F    S
     51.6427630              0.0085660
      9.4142770             -0.1530090
      1.2141230              0.5898350
F    S
      0.3700810              1.0000000
F    P
     22.3008300              0.0518510
      4.9545730              0.2372870
      1.3423110              0.5076660
F    P
      0.3465300              1.0000000
F    P
      0.0847720              1.0000000
end


ecp "F_stuttgart rlc"
F nelec 2
F ul
2       1.000000000            0.000000000
F S
2      22.350400000          102.597952000
2      11.175200000           19.049663000
F P
2      26.476800000          -15.143960000
2      13.238400000            2.802921000
F D
2       0.031600000           -0.001863000
end
basis "Ne_stuttgart rlc"
#basis SET: (7s,7p,3d,1f) -> [4s,4p,3d,1f]
Ne    S
    612.0024370             -0.0061070
     80.9520440             -0.0426030
     13.8642010              0.4521960
      8.7455260              0.5799560
Ne    S
      1.9923460              1.0000000
Ne    S
      0.8008030              1.0000000
Ne    S
      0.3077740              1.0000000
Ne    P
    158.3145350              0.0078510
     37.3011280              0.0713160
     12.7055580              0.2863920
      4.5870870              0.7353940
Ne    P
      1.7356620              1.0000000
Ne    P
      0.6405530              1.0000000
Ne    P
      0.2225440              1.0000000
Ne    D
      4.2748000              1.0000000
Ne    D
      1.1717000              1.0000000
Ne    D
      0.3211000              1.0000000
Ne    F
      2.5795000              1.0000000
end


ecp "Ne_stuttgart rlc"
Ne nelec 2
Ne ul
2       1.000000000            0.000000000
Ne S
2      31.860162000          112.525435660
2      12.362219000           28.300834540
Ne P
2      21.508034000          -11.126585430
2      12.910447000            3.387549190
Ne D
2       0.850385000           -0.184089210
end
basis "Na_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Na    S
      2.6033363              0.0088240
      0.5172170             -0.1832270
      0.0581960              0.6520170
Na    S
      0.0231410              1.0000000
Na    P
      0.4992060              0.0185470
      0.0792190              0.2762110
      0.0299460              0.5870040
Na    P
      0.0126050              1.0000000
end


ecp "Na_stuttgart rlc"
Na nelec 10
Na ul
2       1.000000000            0.000000000
Na S
2       1.378000000           10.839000000
Na P
2       0.663900000            2.303000000
Na D
2       0.924900000           -1.777000000
end
basis "Mg_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Mg    S
      2.4257193              0.0267640
      0.8226250             -0.2238800
      0.1077490              0.6204640
Mg    S
      0.0394850              1.0000000
Mg    P
      0.7690470             -0.0366480
      0.1886750              0.2431450
      0.0751010              0.5547840
Mg    P
      0.0294970              1.0000000
end


ecp "Mg_stuttgart rlc"
Mg nelec 10
Mg ul
2       1.000000000            0.000000000
Mg S
2       1.732000000           14.676000000
Mg P
2       1.115000000            5.175700000
Mg D
2       1.203000000           -1.816000000
end
basis "Al_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Al    S
      2.7863370             -0.0464110
      1.1436350              0.2744720
      0.1700270             -0.6252340
Al    S
      0.0673240              1.0000000
Al    P
      0.9837940              0.0520360
      0.3582450             -0.1550940
      0.1381580             -0.5325840
Al    P
      0.0449750              1.0000000
end


ecp "Al_stuttgart rlc"
Al nelec 10
Al ul
2       1.000000000            0.000000000
Al S
2       2.198225000           20.409813000
Al P
2       1.601395000            8.980495000
Al D
2       1.499026000           -1.970411000
end
basis "Si_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Si    S
      4.0143780             -0.0395080
      1.3937070              0.2961500
      0.2516580             -0.5997520
Si    S
      0.1001800              1.0000000
Si    P
      1.1024810              0.0845830
      0.5831270             -0.1857480
      0.2086750             -0.5548520
Si    P
      0.0691470              1.0000000
end


ecp "Si_stuttgart rlc"
Si nelec 10
Si ul
2       1.000000000            0.000000000
Si S
2       2.713621970           26.623318650
Si P
2       1.966879870           10.929953910
Si D
2       2.710016000           -4.669412000
end
basis "P_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
P    S
      6.7223080             -0.0324550
      1.6240630              0.2850560
      0.3319290             -0.6469140
P    S
      0.1208190              1.0000000
P    P
      1.2832210             -0.0559620
      0.5997250              0.2863630
      0.2277590              0.5522570
P    P
      0.0844240              1.0000000
end


ecp "P_stuttgart rlc"
P nelec 10
P ul
2       1.000000000            0.000000000
P S
2       2.940559860           26.532261310
P P
2       2.227712550           11.497210210
P D
2       5.661706000          -16.772780000
end
basis "S_stuttgart rlc"
#basis SET: (4s,5p) -> [2s,3p]
S    S
      6.8335180             -0.0438750
      2.0777380              0.3198940
      0.4191210             -0.6612330
S    S
      0.1532370              1.0000000
S    P
      1.8171390             -0.0792270
      0.8550700              0.2636710
      0.3120530              0.5806820
S    P
      0.1016870              1.0000000
S    P
      0.0298100              1.0000000
end


ecp "S_stuttgart rlc"
S nelec 10
S ul
2       1.000000000            0.000000000
S S
2       3.743891640           37.974819000
S P
2       3.086087440           18.790529310
S D
2       4.862414000           -7.837964000
end
basis "Cl_stuttgart rlc"
#basis SET: (4s,5p) -> [2s,3p]
Cl    S
     14.0730760              0.0203450
      2.3315650             -0.2892230
      0.5071000              0.6303670
Cl    S
      0.1824330              1.0000000
Cl    P
      3.3531290             -0.0415520
      0.7856860              0.3997480
      0.2674540              0.5918290
Cl    P
      0.0782750              1.0000000
Cl    P
      0.0154770              1.0000000
end


ecp "Cl_stuttgart rlc"
Cl nelec 10
Cl ul
2       1.000000000            0.000000000
Cl S
2       6.394300000           33.136632000
2       3.197100000           16.270728000
Cl P
2       5.620700000           24.416993000
2       2.810300000            7.683050000
Cl D
2       5.338100000           -8.587649000
end
basis "Ar_stuttgart rlc"
#basis SET: (6s,6p,3d,1f) -> [4s,4p,3d,1f]
Ar    S
    174.6696550              0.0025870
     12.6957680              0.0623130
      2.9178340             -1.0421580
Ar    S
      0.6708400              1.0000000
Ar    S
      0.2991120              1.0000000
Ar    S
      0.1314020              1.0000000
Ar    P
     19.8872210              0.0233460
      3.7761720             -0.2246210
      1.2115160              1.1375960
Ar    P
      0.5384990              1.0000000
Ar    P
      0.2295750              1.0000000
Ar    P
      0.0951030              1.0000000
Ar    D
      1.4509000              1.0000000
Ar    D
      0.4385000              1.0000000
Ar    D
      0.1325000              1.0000000
Ar    F
      0.9305000              1.0000000
end


ecp "Ar_stuttgart rlc"
Ar nelec 10
Ar ul
2       1.000000000            0.000000000
Ar S
2      10.261721000           68.667788010
2       3.952725000           24.042766290
Ar P
2       5.392714000           27.730763310
2       2.699967000            4.045459040
Ar D
2       8.086235000           -8.137476960
2       4.016632000           -1.664528080
Ar F
2       5.208459000           -3.400098450
end
basis "K_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
K    S
      1.1054926              0.0251350
      0.2694510             -0.2849110
      0.0448520              0.4735740
K    S
      0.0205690              1.0000000
K    P
      0.2202780             -0.0644430
      0.0516110              0.2701400
      0.0222530              0.6012890
K    P
      0.0098480              1.0000000
end


ecp "K_stuttgart rlc"
K nelec 18
K ul
2       1.000000000            0.000000000
K S
2       0.853000000           13.564000000
K P
2       0.369600000            2.648000000
K D
2       0.663900000           -4.517000000
end
basis "Ca_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Ca    S
      0.8382650              0.1068310
      0.4323130             -0.3872400
      0.0651100              0.6454090
Ca    S
      0.0271070              1.0000000
Ca    P
      0.3169150             -0.1171340
      0.1160180              0.2385410
      0.0497080              0.5986320
Ca    P
      0.0214780              1.0000000
end


ecp "Ca_stuttgart rlc"
Ca nelec 18
Ca ul
2       1.000000000            0.000000000
Ca S
2       0.898000000           12.466000000
Ca P
2       0.548000000            5.146000000
Ca D
2       1.119000000           -7.709000000
end
basis "Zn_stuttgart rlc"
#basis SET: (4s,2p) -> [3s,2p]
Zn    S
      1.5727550              0.3138620
      1.1989050             -0.5418010
Zn    S
      0.1488560              1.0000000
Zn    S
      0.0510160              1.0000000
Zn    P
      0.1362700              1.0000000
Zn    P
      0.0415000              1.0000000
end


ecp "Zn_stuttgart rlc"
Zn nelec 28
Zn ul
2       1.000000000            0.000000000
Zn S
2       1.500000000           14.936800000
2       0.750000000           -2.626600000
Zn P
2       1.500000000           11.432900000
2       0.750000000           -1.493900000
Zn D
2       0.750000000            1.169000000
2       0.375000000            0.370700000
end
basis "Ga_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Ga    S
      3.4847750              0.1143940
      1.6858350             -0.3601310
      0.1785420              0.6937990
Ga    S
      0.0678140              1.0000000
Ga    P
      1.2832310              0.1028340
      0.4761630             -0.1408860
      0.1556210             -0.4773150
Ga    P
      0.0542940              1.0000000
end


ecp "Ga_stuttgart rlc"
Ga nelec 28
Ga ul
2       1.000000000            0.000000000
Ga S
2       5.215960000          203.853972000
Ga P
2       4.308904000          156.103390000
Ga D
2       0.496357000            1.031647000
Ga F
2       1.715170000          -10.673735000
end
basis "Ge_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Ge    S
      3.2312530              0.2221800
      1.9475450             -0.5066160
      0.2323200              0.7088450
Ge    S
      0.0866690              1.0000000
Ge    P
      1.2278050              0.2239500
      0.7568560             -0.2291340
      0.2043470             -0.5764140
Ge    P
      0.0677920              1.0000000
end


ecp "Ge_stuttgart rlc"
Ge nelec 28
Ge ul
2       1.000000000            0.000000000
Ge S
2       4.815409000          149.246579000
Ge P
2       4.169515000          132.844335000
Ge D
2       0.591958000            1.346154000
Ge F
2       1.791770000           -7.044223000
end
basis "As_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
As    S
      3.4314740              0.1481660
      1.8968660             -0.4498900
      0.2944490              0.6956820
As    S
      0.1118960              1.0000000
As    P
      1.2964470             -0.3699540
      0.9499710              0.3732140
      0.2544210              0.6003040
As    P
      0.0875930              1.0000000
end


ecp "As_stuttgart rlc"
As nelec 28
As ul
2       1.000000000            0.000000000
As S
2       3.612625000           53.965620000
As P
2       3.907926000           88.949088000
As D
2       1.926467000           22.420288000
As F
2       1.773434000           -4.704815000
end
basis "Se_stuttgart rlc"
#basis SET: (4s,5p) -> [2s,3p]
Se    S
      3.5881800              0.2496300
      2.2397110             -0.5814600
      0.3437730              0.7289380
Se    S
      0.1313990              1.0000000
Se    P
      1.5094270              0.1952710
      0.8751060             -0.2539150
      0.2908260             -0.5904870
Se    P
      0.1002210              1.0000000
Se    P
      0.0325160              1.0000000
end


ecp "Se_stuttgart rlc"
Se nelec 28
Se ul
2       1.000000000            0.000000000
Se S
2       4.237057000           79.663345000
Se P
2       2.910334000           31.560993000
Se D
2       2.335701000           30.804610000
Se F
2       2.254639000           -6.546875000
end
basis "Br_stuttgart rlc"
#basis SET: (4s,5p) -> [2s,3p]
Br    S
      4.7218810              0.1072970
      2.2575550             -0.4338020
      0.3896080              0.7720430
Br    S
      0.1471340              1.0000000
Br    P
      1.8969420             -0.1793950
      0.9108990              0.2637290
      0.3168550              0.6069520
Br    P
      0.1095030              1.0000000
Br    P
      0.0360970              1.0000000
end


ecp "Br_stuttgart rlc"
Br nelec 28
Br ul
2       1.000000000            0.000000000
Br S
2       5.021800000           61.513721000
2       2.510900000            9.021493000
Br P
2       4.281400000           53.875864000
2       2.140700000            4.629402000
Br D
2       2.880000000           20.849677000
2       1.440000000            2.965444000
Br F
2       2.720700000           -8.161493000
end
basis "Kr_stuttgart rlc"
#basis SET: (6s,6p,3d,1f) -> [4s,4p,3d,1f]
Kr    S
     35.4029610              0.0204950
     15.6650890             -0.0991880
      6.2477110              1.0720510
Kr    S
      2.3942460              1.0000000
Kr    S
      0.4534890              1.0000000
Kr    S
      0.1721580              1.0000000
Kr    P
     23.0290850              0.0056250
      9.5030920             -0.0750510
      2.8424610              1.0456890
Kr    P
      0.6892930              1.0000000
Kr    P
      0.2851360              1.0000000
Kr    P
      0.1087820              1.0000000
Kr    D
      0.7379000              1.0000000
Kr    D
      0.3225000              1.0000000
Kr    D
      0.1409000              1.0000000
Kr    F
      0.7052000              1.0000000
end


ecp "Kr_stuttgart rlc"
Kr nelec 28
Kr ul
2       1.000000000            0.000000000
Kr S
2       5.877718000           73.915693900
2       3.084622000           16.168250800
Kr P
2       5.164110000           58.517691010
2       2.358302000            8.259100730
Kr D
2       3.215362000           33.458227760
2       1.285008000            0.677253310
Kr F
2       4.082869000          -15.158698590
2       1.193960000           -0.174088250
Kr G
2       3.180775000           -6.833158770
end
basis "Rb_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Rb    S
      0.7182880              0.0772200
      0.2739780             -0.3446230
      0.0323060              0.7263260
Rb    S
      0.0152320              1.0000000
Rb    P
      0.1619670             -0.0962530
      0.0507710              0.2008450
      0.0221330              0.6076980
Rb    P
      0.0099340              1.0000000
end


ecp "Rb_stuttgart rlc"
Rb nelec 36
Rb ul
2       1.000000000            0.000000000
Rb S
2       1.012000000           45.272000000
Rb P
2       0.303600000            2.830000000
Rb D
2       0.383800000           -1.975000000
end
basis "Sr_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Sr    S
      0.7917400              0.0835140
      0.3161780             -0.4292370
      0.0665650              0.5239690
Sr    S
      0.0269900              1.0000000
Sr    P
      0.2258250             -0.1673350
      0.0956910              0.2554970
      0.0420770              0.6116690
Sr    P
      0.0180770              1.0000000
end


ecp "Sr_stuttgart rlc"
Sr nelec 36
Sr ul
2       1.000000000            0.000000000
Sr S
2       0.796200000           15.387000000
Sr P
2       0.421200000            5.077000000
Sr D
2       0.492700000           -2.248000000
end
basis "In_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
In    S
      1.5325620              0.2617740
      0.9442690             -0.6254060
      0.1767330              0.6513040
In    S
      0.0643430              1.0000000
In    P
      0.6414740              0.2111030
      0.3427390             -0.2430290
      0.1095460             -0.5601910
In    P
      0.0389580              1.0000000
end


ecp "In_stuttgart rlc"
In nelec 46
In ul
2       1.000000000            0.000000000
In S
2       1.435091000           29.165219000
2       0.695805000           -4.190806000
In P
2       1.440832000           36.990542000
2       0.701392000           -3.365820000
In D
2       0.961236000           20.000531000
In F
2       0.884369000           -6.019092000
end
basis "Sn_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Sn    S
      1.6003220              0.6357680
      1.1663410             -1.0762620
      0.2397610              0.6085820
Sn    S
      0.0872370              1.0000000
Sn    P
      2.1046770              0.0789500
      1.3710940             -0.1911590
      0.2013930              0.5425460
Sn    P
      0.0659950              1.0000000
end


ecp "Sn_stuttgart rlc"
Sn nelec 46
Sn ul
2       1.000000000            0.000000000
Sn S
2       1.969725000           67.925347000
2       0.972375000           -7.478546000
Sn P
2       1.999210000           56.602880000
2       0.999042000           -2.161776000
Sn D
2       0.500361000            2.576336000
Sn F
2       1.230880000          -10.109253000
end
basis "Sb_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Sb    S
      2.2207990              0.2567130
      1.2678380             -0.6690110
      0.2609560              0.6464600
Sb    S
      0.1000660              1.0000000
Sb    P
      2.1493490              0.1089150
      1.4342120             -0.2513970
      0.2426310              0.5739470
Sb    P
      0.0834160              1.0000000
end


ecp "Sb_stuttgart rlc"
Sb nelec 46
Sb ul
2       1.000000000            0.000000000
Sb S
2       2.491091000           68.427938000
2       1.341575000           -4.398631000
Sb P
2       2.143864000           63.965469000
2       0.585503000           -0.578726000
Sb D
2       0.795401000            7.803661000
Sb F
2       1.609251000          -14.517687000
end
basis "Te_stuttgart rlc"
#basis SET: (4s,5p) -> [2s,3p]
Te    S
      2.4712220              0.2419560
      1.5099950             -0.6004880
      0.2546770              0.7635220
Te    S
      0.1026310              1.0000000
Te    P
      2.3887340              0.1581810
      1.6441650             -0.3249320
      0.2899730              0.5856550
Te    P
      0.0967530              1.0000000
Te    P
      0.0297670              1.0000000
end


ecp "Te_stuttgart rlc"
Te nelec 46
Te ul
2       1.000000000            0.000000000
Te S
2       2.923794000           50.083805000
2       1.152754000            1.968140000
Te P
2       2.603086000          119.820702000
2       0.985448000           -2.039048000
Te D
2       1.435019000           37.757214000
Te F
2       1.939270000          -17.864641000
end
basis "I_stuttgart rlc"
#basis SET: (4s,5p) -> [2s,3p]
I    S
      2.1227650              1.1040280
      1.7704810             -1.5353260
      0.3130840              0.7516030
I    S
      0.1240710              1.0000000
I    P
      2.4328870              0.4422320
      2.1372490             -0.5838090
      0.3145460              0.6266060
I    P
      0.1049450              1.0000000
I    P
      0.0326410              1.0000000
end


ecp "I_stuttgart rlc"
I nelec 46
I ul
2       1.000000000            0.000000000
I S
2       3.51120000            83.11386300
2       1.75560000             5.20187600
I P
2       2.96880000            82.81110900
2       1.48440000             3.37968200
I D
2       1.90660000            10.30427700
2       0.95330000             7.58803200
I F
2       2.30750000           -21.47793600
end
basis "Xe_stuttgart rlc"
#basis SET: (6s,6p,3d,1f) -> [4s,4p,3d,1f]
Xe    S
      7.8580150              0.0599280
      3.4957720             -0.6490760
      1.7588690              1.5298140
Xe    S
      0.3147450              1.0000000
Xe    S
      0.1511600              1.0000000
Xe    S
      0.0712260              1.0000000
Xe    P
      3.2145230              0.2110050
      1.8849440             -0.7126740
      0.4488760              1.2280800
Xe    P
      0.2122320              1.0000000
Xe    P
      0.1001150              1.0000000
Xe    P
      0.0469790              1.0000000
Xe    D
      0.4460000              1.0000000
Xe    D
      0.2322000              1.0000000
Xe    D
      0.1208000              1.0000000
Xe    F
      0.5157000              1.0000000
end


ecp "Xe_stuttgart rlc"
Xe nelec 46
Xe ul
2       1.000000000            0.000000000
Xe S
2       3.940263000          122.763829340
2       2.277264000            8.308851150
Xe P
2       3.028373000           68.823004370
2       1.394319000            3.646742230
Xe D
2       2.122605000           23.652078540
2       0.798669000            3.258441130
Xe F
2       6.164360000          -47.703198760
2       1.542374000           -6.541139910
Xe G
2       1.847892000           -7.105850600
end
basis "Cs_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Cs    S
      0.3974310              0.2396470
      0.2297960             -0.5541720
      0.0365350              0.2513590
Cs    S
      0.0189010              1.0000000
Cs    P
      0.1239000             -0.1309060
      0.0522810              0.1313700
      0.0218970              0.6195840
Cs    P
      0.0095740              1.0000000
end


ecp "Cs_stuttgart rlc"
Cs nelec 54
Cs ul
2       1.000000000            0.000000000
Cs S
2       1.160000000          303.500000000
Cs P
2       0.244700000            2.930000000
Cs D
2       0.242700000           -1.138000000
end
basis "Ba_stuttgart rlc"
#basis SET: (4s,4p) -> [2s,2p]
Ba    S
      0.4928470              0.2289670
      0.2828440             -0.5810350
      0.0448740              0.6673080
Ba    S
      0.0205860              1.0000000
Ba    P
      0.1537520             -0.2715930
      0.0809870              0.3542340
      0.0325660              0.6642640
Ba    P
      0.0142380              1.0000000
end


ecp "Ba_stuttgart rlc"
Ba nelec 54
Ba ul
2       1.000000000            0.000000000
Ba S
2       0.635600000           16.710000000
Ba P
2       0.321400000            4.874000000
Ba D
2       0.240300000           -0.842700000
end
basis "Hg_stuttgart rlc"
#basis SET: (4s,4p,1d) -> [2s,2p,1d]
Hg    S
      1.3548420              0.2364940
      0.8288920             -0.5996280
      0.1339320              0.8463050
Hg    S
      0.0510170              1.0000000
Hg    P
      1.0001460              0.1449540
      0.8664530             -0.2049710
      0.1182060              0.4903010
Hg    P
      0.0351550              1.0000000
Hg    D
      0.1900000              1.0000000
end


ecp "Hg_stuttgart rlc"
Hg nelec 78
Hg ul
2       1.000000000            0.000000000
Hg S
2       0.227210000           -0.696178000
2       1.657530000           27.758105000
2      10.000248000           48.780475000
Hg P
2       0.398377000           -2.735811000
2       0.647307000            8.575637000
Hg D
2       0.217999000           -0.013118000
2       0.386058000            2.792862000
Hg F
2       0.500000000           -2.635164000
Hg G
2       0.800756000          -13.393716000
end
basis "Tl_stuttgart rlc"
#basis SET: (4s,4p,1d) -> [2s,2p,1d]
Tl    S
      1.4633390              0.4254620
      0.9909960             -0.8297730
      0.1632550              0.8324440
Tl    S
      0.0608020              1.0000000
Tl    P
      1.3425020              0.0971080
      0.9939890             -0.1932540
      0.1496930              0.5147750
Tl    P
      0.0456120              1.0000000
Tl    D
      0.1500000              1.0000000
end


ecp "Tl_stuttgart rlc"
Tl nelec 78
Tl ul
2       1.000000000            0.000000000
Tl S
2       0.326238000           -1.016498000
2       1.977541000           51.707959000
2      10.000000000           73.186683000
Tl P
2       0.543063000           -2.962673000
2       1.032140000           19.730431000
Tl D
2       0.354817000            2.772690000
2       0.709633000           -3.979439000
Tl F
2       0.689156000           -4.426786000
Tl G
2       0.820617000          -12.270540000
end
basis "Pb_stuttgart rlc"
#basis SET: (4s,4p,1d) -> [2s,2p,1d]
Pb    S
      1.3051750              1.0104020
      1.1352820             -1.4023550
      0.2027710              0.7933720
Pb    S
      0.0817960              1.0000000
Pb    P
      1.4416840              0.1456260
      0.9771430             -0.3198630
      0.1945050              0.5536900
Pb    P
      0.0627100              1.0000000
Pb    D
      0.1700000              1.0000000
end


ecp "Pb_stuttgart rlc"
Pb nelec 78
Pb ul
2       1.000000000            0.000000000
Pb S
2       0.529161000           -1.873342000
2       1.456727000           20.860797000
2       9.999911000           97.587955000
Pb P
2       0.678119000           -7.768209000
2       1.249013000           51.719254000
Pb D
2       0.307446000            1.300760000
2       0.744930000            2.640822000
Pb F
2       0.848699000           -5.706056000
Pb G
2       0.999941000           -7.484184000
end
basis "Bi_stuttgart rlc"
#basis SET: (4s,4p,1d) -> [2s,2p,1d]
Bi    S
      1.4253880              0.0760080
      0.9849140             -0.4574080
      0.2525140              0.7021840
Bi    S
      0.1006190              1.0000000
Bi    P
      1.5172830              0.3466820
      1.2533070             -0.5133130
      0.2079490              0.6484570
Bi    P
      0.0694330              1.0000000
Bi    D
      0.1700000              1.0000000
end


ecp "Bi_stuttgart rlc"
Bi nelec 78
Bi ul
2       1.000000000            0.000000000
Bi S
2       0.161152000           -0.161988000
2       1.509835000           14.031690000
2      10.000000000          122.047401000
Bi P
2       0.760490000           -6.188526000
2       1.426415000           51.045868000
Bi D
2       0.780226000           20.535804000
2       0.260075000           -0.136196000
Bi F
2       0.973608000           -6.414226000
Bi G
2       1.088195000           -6.656064000
end
basis "Po_stuttgart rlc"
#basis SET: (4s,5p,1d) -> [2s,3p,1d]
Po    S
      1.9570300              0.3567870
      1.2992660             -0.8254650
      0.2844790              0.8602430
Po    S
      0.0994230              1.0000000
Po    P
      1.7311350              0.1738230
      1.2821620             -0.3364260
      0.2354460              0.6932420
Po    P
      0.0722990              1.0000000
Po    P
      0.0202070              1.0000000
Po    D
      0.2100000              1.0000000
end


ecp "Po_stuttgart rlc"
Po nelec 78
Po ul
2       1.000000000            0.000000000
Po S
2       0.922386000           -4.159304000
2       1.781915000           33.830354000
2      10.000000000          146.339101000
Po P
2       0.724291000           -4.125311000
2       1.363860000           35.007078000
Po D
2       0.476979000            1.206518000
2       0.953957000           13.356125000
Po F
2       1.075454000           -6.775174000
Po G
2       1.122096000           -5.515441000
end
basis "At_stuttgart rlc"
#basis SET: (4s,5p,1d) -> [2s,3p,1d]
At    S
      1.9624200              0.5190180
      1.3873590             -1.0256140
      0.2962310              0.9535080
At    S
      0.1041270              1.0000000
At    P
      2.2021380              0.0634430
      1.3387910             -0.1945740
      0.2620810              0.6511040
At    P
      0.0962680              1.0000000
At    P
      0.0378490              1.0000000
At    D
      0.2300000              1.0000000
end


ecp "At_stuttgart rlc"
At nelec 78
At ul
2       1.000000000            0.000000000
At S
2       0.922386000           -5.528461000
2       1.781915000           39.568869000
2      10.000000000          170.711386000
At P
2       0.724291000           -2.295387000
2       1.363860000           25.492920000
At D
2       0.635972000            4.865107000
2       1.271943000           14.579413000
At F
2       1.154108000           -6.857867000
At G
2       1.345115000           -7.613039000
end
basis "Rn_stuttgart rlc"
#basis SET: (4s,4p,1d) -> [2s,2p,1d]
Rn    S
      1.9783250              0.6789880
      1.5140330             -1.1841590
      0.3246540              0.9210860
Rn    S
      0.1273660              1.0000000
Rn    P
      2.0310950              0.2320400
      1.6561220             -0.3545180
      0.2983650              0.6651200
Rn    P
      0.1032220              1.0000000
Rn    D
      0.2600000              1.0000000
end


ecp "Rn_stuttgart rlc"
Rn nelec 78
Rn ul
2       1.000000000            0.000000000
Rn S
2       0.922386000           -5.019005000
2       1.781915000           37.036790000
2      10.804601000          195.103308000
Rn P
2       0.724291000           -1.966481000
2       1.363860000           23.464059000
Rn D
2       0.769400000            7.483457000
2       1.538800000            9.361900000
Rn F
2       1.213897000           -6.763150000
Rn G
2       1.576469000           -9.915662000
end
basis "Ac_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Ac    S
     22.1940300              0.0005820
      5.1618960             -0.2274570
      3.4412640              1.1136920
      2.2941760             -1.3602950
Ac    S
      1.5294510              1.0000000
Ac    S
      0.3858870              1.0000000
Ac    S
      0.1023360              1.0000000
Ac    S
      0.0409150              1.0000000
Ac    P
     15.5815980              0.0023080
     10.2112020             -0.0094080
      4.2944280              0.0724550
      1.9233260             -0.2925100
Ac    P
      0.4718650              1.0000000
Ac    P
      0.2073300              1.0000000
Ac    P
      0.0613570              1.0000000
Ac    P
      0.0230620              1.0000000
Ac    D
      4.4321410              0.0035050
      1.7006940             -0.0472170
      1.0747940              0.0081990
Ac    D
      0.3492750              1.0000000
Ac    D
      0.1349570              1.0000000
Ac    D
      0.0473780              1.0000000
Ac    F
      2.1578980              0.3431490
      0.7499590              0.4469380
      0.2244120              0.4292070
Ac    F
      0.0557480              1.0000000
Ac    F
      0.0071560              1.0000000
Ac    G
      0.5100000              1.0000000
Ac    G
      0.1800000              1.0000000
end


ecp "Ac_stuttgart rlc"
Ac nelec 78
Ac ul
2       1.000000000            0.000000000
Ac S
2       4.063653000          113.054397000
2       1.883995000           17.083233000
2       0.886567000           -2.666615000
Ac P
2       3.986181000          115.937655000
2       2.000160000           18.329978000
2       0.960841000            1.307434000
Ac D
2       4.147972000           60.863740000
2       2.234563000           29.382289000
2       0.913695000            6.969850000
Ac F
2       3.998938000           48.646071000
2       1.998840000          -29.410160000
2       0.995641000            2.553106000
Ac G
2       2.858599000          -25.140209000
2       0.887502000           -0.341970000
end
basis "Th_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Th    S
     10.5166570              0.0330960
      7.0109060             -0.2339080
      4.6738090              0.5198480
      1.8620810             -1.0189420
Th    S
      0.5373270              1.0000000
Th    S
      0.2614820              1.0000000
Th    S
      0.0682570              1.0000000
Th    S
      0.0275220              1.0000000
Th    P
     15.8728110              0.0015590
     10.5818740             -0.0069170
      3.9249540              0.1150440
      2.2082920             -0.3349900
Th    P
      0.4929470              1.0000000
Th    P
      0.2151610              1.0000000
Th    P
      0.0545080              1.0000000
Th    P
      0.0143650              1.0000000
Th    D
      6.0714120              0.0017310
      1.9840490             -0.0398500
      0.4607160              0.2696270
Th    D
      0.2185020              1.0000000
Th    D
      0.0987470              1.0000000
Th    D
      0.0418720              1.0000000
Th    F
      2.2991460              0.3237190
      1.0205490              0.3795530
      0.4433930              0.3340230
Th    F
      0.1862010              1.0000000
Th    F
      0.0715740              1.0000000
Th    G
      0.5200000              1.0000000
Th    G
      0.2200000              1.0000000
end


ecp "Th_stuttgart rlc"
Th nelec 78
Th ul
2       1.000000000            0.000000000
Th S
2       4.063653000          113.326466000
2       1.883995000           15.663755000
2       0.886567000           -2.765902000
Th P
2       3.986181000          115.953483000
2       2.000160000           15.762190000
2       0.960841000            1.378850000
Th D
2       4.147972000           59.747811000
2       2.234563000           17.820683000
2       0.913695000            6.913661000
Th F
2       3.998938000           49.624378000
2       1.998840000          -26.641861000
2       0.995641000            1.762748000
Th G
2       3.166379000          -28.595941000
2       0.860105000           -0.309653000
end
basis "Pa_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Pa    S
     11.3479200              0.0253300
      7.0871300             -0.2229290
      4.7242860              0.5295950
      1.9345370             -1.0268620
Pa    S
      0.5545750              1.0000000
Pa    S
      0.2644890              1.0000000
Pa    S
      0.0617110              1.0000000
Pa    S
      0.0250180              1.0000000
Pa    P
     17.4537430              0.0011780
      7.6978150             -0.0298850
      5.1322690              0.0983920
      2.1613490             -0.2977200
Pa    P
      0.5246520              1.0000000
Pa    P
      0.2265150              1.0000000
Pa    P
      0.0531380              1.0000000
Pa    P
      0.0137180              1.0000000
Pa    D
      6.7811600              0.0020550
      2.2671730             -0.0397730
      0.5406500              0.2501230
Pa    D
      0.2566310              1.0000000
Pa    D
      0.1138060              1.0000000
Pa    D
      0.0471060              1.0000000
Pa    F
      2.1660530              0.3672780
      0.9571210              0.4121360
      0.4186070              0.3133340
Pa    F
      0.1770450              1.0000000
Pa    F
      0.0673510              1.0000000
Pa    G
      0.7000000              1.0000000
Pa    G
      0.2000000              1.0000000
end


ecp "Pa_stuttgart rlc"
Pa nelec 78
Pa ul
2       1.000000000            0.000000000
Pa S
2       4.063653000          113.294844000
2       1.883995000           15.513863000
2       0.886567000           -3.143943000
Pa P
2       3.986181000          115.895288000
2       2.000160000           15.486291000
2       0.960841000            0.976283000
Pa D
2       4.147972000           59.669213000
2       2.234563000           17.343726000
2       0.913695000            6.444698000
Pa F
2       3.998938000           51.677083000
2       1.998840000          -22.941290000
2       0.995641000            0.450258000
Pa G
2       3.480650000          -31.873318000
2       0.860105000           -0.311399000
end
basis "U_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
U    S
     12.1252530              0.0219210
      7.1615450             -0.2251600
      4.7748360              0.5602990
      2.0116930             -1.0712090
U    S
      0.5868520              1.0000000
U    S
      0.2791150              1.0000000
U    S
      0.0633720              1.0000000
U    S
      0.0256110              1.0000000
U    P
     17.2547700              0.0013980
      7.7353560             -0.0333460
      5.1558780              0.1105780
      2.2416700             -0.3172680
U    P
      0.5818580              1.0000000
U    P
      0.2679080              1.0000000
U    P
      0.0834420              1.0000000
U    P
      0.0321300              1.0000000
U    D
      4.8410700              0.0057310
      2.1601620             -0.0572360
      0.5756300              0.2388280
U    D
      0.2781360              1.0000000
U    D
      0.1248790              1.0000000
U    D
      0.0515480              1.0000000
U    F
      2.4364410              0.3550110
      1.1446820              0.4008460
      0.5296930              0.3046790
U    F
      0.2405960              1.0000000
U    F
      0.1018670              1.0000000
U    G
      1.1800000              1.0000000
U    G
      0.4200000              1.0000000
end


ecp "U_stuttgart rlc"
U nelec 78
U ul
2       1.000000000            0.000000000
U S
2       4.063653000          112.920103000
2       1.883995000           15.647500000
2       0.886567000           -3.689971000
U P
2       3.986181000          118.758016000
2       2.000160000           15.077228000
2       0.960841000            0.556720000
U D
2       4.147972000           60.855892000
2       2.234563000           29.280047000
2       0.913695000            4.998029000
U F
2       3.998938000           49.924035000
2       1.998840000          -24.674042000
2       0.995641000            1.389480000
U G
2       3.817422000          -36.040977000
2       0.262501000           -0.090511000
end
basis "Np_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Np    S
     13.4609030              0.0196310
      7.7809600             -0.1612090
      4.6203520              0.5363840
      2.0983940             -1.1202000
Np    S
      0.6129150              1.0000000
Np    S
      0.2909640              1.0000000
Np    S
      0.0643400              1.0000000
Np    S
      0.0259310              1.0000000
Np    P
     12.7691190              0.0063010
      8.5105620             -0.0368350
      5.1851320              0.1181380
      2.3558060             -0.3255550
Np    P
      0.5770820              1.0000000
Np    P
      0.2463730              1.0000000
Np    P
      0.0549020              1.0000000
Np    P
      0.0138670              1.0000000
Np    D
      4.7617310              0.0071940
      2.3097960             -0.0585300
      0.6076910              0.2470820
Np    D
      0.2879910              1.0000000
Np    D
      0.1274170              1.0000000
Np    D
      0.0521610              1.0000000
Np    F
      2.6460180              0.3411570
      1.3025000              0.4007460
      0.6025570              0.3174910
Np    F
      0.2624020              1.0000000
Np    F
      0.1011290              1.0000000
Np    G
      1.3100000              1.0000000
Np    G
      0.3700000              1.0000000
end


ecp "Np_stuttgart rlc"
Np nelec 78
Np ul
2       1.000000000            0.000000000
Np S
2       4.063653000          112.934860000
2       1.883995000           15.549432000
2       0.886567000           -4.135857000
Np P
2       3.986181000          118.823594000
2       2.000160000           15.280487000
2       0.960841000            0.023696000
Np D
2       4.147972000           60.813401000
2       2.234563000           28.992308000
2       0.913695000            4.444990000
Np F
2       3.998938000           49.540431000
2       1.998840000          -25.566757000
2       0.995641000            1.888886000
Np G
2       4.201531000          -39.834114000
2       0.345078000           -0.141655000
end
basis "Pu_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Pu    S
     12.9393940              0.0087160
      6.6453900             -0.2082290
      4.4293300              0.7092390
      2.2320720             -1.2462920
Pu    S
      0.6322700              1.0000000
Pu    S
      0.3002480              1.0000000
Pu    S
      0.0654080              1.0000000
Pu    S
      0.0262790              1.0000000
Pu    P
     13.4448440              0.0021300
      8.9625080             -0.0142420
      4.1465400              0.1946170
      2.6559140             -0.4186030
Pu    P
      0.5957420              1.0000000
Pu    P
      0.2535360              1.0000000
Pu    P
      0.0557050              1.0000000
Pu    P
      0.0139630              1.0000000
Pu    D
      4.4260630              0.0114530
      2.5068130             -0.0617940
      0.6223960              0.2690650
Pu    D
      0.2853480              1.0000000
Pu    D
      0.1234910              1.0000000
Pu    D
      0.0502340              1.0000000
Pu    F
      2.8431700              0.3069440
      1.4979210              0.3911510
      0.7130630              0.3304900
Pu    F
      0.3127230              1.0000000
Pu    F
      0.1204860              1.0000000
Pu    G
      1.5900000              1.0000000
Pu    G
      0.4500000              1.0000000
end


ecp "Pu_stuttgart rlc"
Pu nelec 78
Pu ul
2       1.000000000            0.000000000
Pu S
2       4.063653000          113.806678000
2       1.883995000           16.000761000
2       0.886567000           -4.839949000
Pu P
2       3.986181000          118.769014000
2       2.000160000           15.005465000
2       0.960841000           -0.445820000
Pu D
2       4.147972000           60.838015000
2       2.234563000           29.140991000
2       0.913695000            3.925573000
Pu F
2       3.998938000           49.578334000
2       1.998840000          -25.370992000
2       0.995641000            1.929965000
Pu G
2       3.479904000          -32.535111000
2       0.163718000            0.235917000
end
basis "Am_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Am    S
      8.0784100             -0.1888230
      5.3856070              0.6640350
      3.5904040             -0.1589370
      2.3936030             -1.0980600
Am    S
      0.8842150              1.0000000
Am    S
      0.3796470              1.0000000
Am    S
      0.0706530              1.0000000
Am    S
      0.0285350              1.0000000
Am    P
     13.1928620              0.0023030
      8.7943810             -0.0161990
      4.1701030              0.2273360
      2.7798220             -0.4524170
Am    P
      0.6207000              1.0000000
Am    P
      0.2625320              1.0000000
Am    P
      0.0565640              1.0000000
Am    P
      0.0140170              1.0000000
Am    D
      4.7379970              0.0096180
      2.5473960             -0.0597000
      0.6685140              0.2456710
Am    D
      0.3095740              1.0000000
Am    D
      0.1342570              1.0000000
Am    D
      0.0538380              1.0000000
Am    F
     15.8487130              0.0051350
      2.9128810              0.3509070
      1.3806330              0.4442870
Am    F
      0.5687520              1.0000000
Am    F
      0.2032570              1.0000000
Am    G
      1.7100000              1.0000000
Am    G
      0.5100000              1.0000000
end


ecp "Am_stuttgart rlc"
Am nelec 78
Am ul
2       1.000000000            0.000000000
Am S
2       4.063653000          153.797169000
2       1.883995000          -10.639855000
2       0.886567000            1.270709000
Am P
2       3.986181000          118.779064000
2       2.000160000           14.955696000
2       0.960841000           -1.046280000
Am D
2       4.147972000           60.833778000
2       2.234563000           29.099489000
2       0.913695000            3.333610000
Am F
2       3.998938000           48.971137000
2       1.998840000          -26.595854000
2       0.995641000            2.477384000
Am G
2       3.940205000          -37.955572000
2       0.174609000            0.249659000
end
basis "Cm_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Cm    S
     10.3780570              0.1489790
      6.9194130             -1.0464340
      4.6124700              2.6281060
      2.9225060             -2.5507410
Cm    S
      0.6925480              1.0000000
Cm    S
      0.3252690              1.0000000
Cm    S
      0.0719370              1.0000000
Cm    S
      0.0284880              1.0000000
Cm    P
     13.5512720              0.0029010
      9.0334230             -0.0171440
      4.2198500              0.2298140
      2.8129820             -0.4565430
Cm    P
      0.6329320              1.0000000
Cm    P
      0.2674550              1.0000000
Cm    P
      0.0573670              1.0000000
Cm    P
      0.0142630              1.0000000
Cm    D
      4.6918850              0.0099220
      2.6067960             -0.0560920
      0.6715960              0.2344090
Cm    D
      0.3058520              1.0000000
Cm    D
      0.1302170              1.0000000
Cm    D
      0.0509310              1.0000000
Cm    F
     14.0677900              0.0098400
      3.2430340              0.3505310
      1.5613510              0.4651530
Cm    F
      0.6350000              1.0000000
Cm    F
      0.2237200              1.0000000
Cm    G
      2.0000000              1.0000000
Cm    G
      0.6000000              1.0000000
end


ecp "Cm_stuttgart rlc"
Cm nelec 78
Cm ul
2       1.000000000            0.000000000
Cm S
2       4.063653000          253.671746000
2       1.883995000          -11.652159000
2       0.886567000           -3.396770000
Cm P
2       3.986181000          118.740486000
2       2.000160000           14.871570000
2       0.960841000           -1.176509000
Cm D
2       4.147972000           60.901023000
2       2.234563000           29.500385000
2       0.913695000            3.206729000
Cm F
2       3.998938000           47.234614000
2       1.998840000          -28.715453000
2       0.995641000            3.783521000
Cm G
2       4.082153000          -39.543894000
2       0.274182000            0.430726000
end
basis "Bk_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Bk    S
     11.1885950              0.1082070
      7.4583660             -0.7838590
      4.9717790              2.0043850
      3.0303410             -2.1197910
Bk    S
      0.7476860              1.0000000
Bk    S
      0.3513140              1.0000000
Bk    S
      0.0755400              1.0000000
Bk    S
      0.0297670              1.0000000
Bk    P
      9.1227940             -0.0191240
      6.0818630              0.0549250
      4.0545750              0.1216600
      2.7030500             -0.4251490
Bk    P
      0.7046200              1.0000000
Bk    P
      0.2971790              1.0000000
Bk    P
      0.0607040              1.0000000
Bk    P
      0.0149380              1.0000000
Bk    D
      4.9745860              0.0092270
      2.7232250             -0.0527810
      0.6956860              0.2366330
Bk    D
      0.3057570              1.0000000
Bk    D
      0.1261230              1.0000000
Bk    D
      0.0481280              1.0000000
Bk    F
     14.4907480              0.0093760
      3.1677510              0.3504540
      1.5355330              0.4662840
Bk    F
      0.6321710              1.0000000
Bk    F
      0.2241100              1.0000000
Bk    G
      1.9400000              1.0000000
Bk    G
      0.5800000              1.0000000
end


ecp "Bk_stuttgart rlc"
Bk nelec 78
Bk ul
2       1.000000000            0.000000000
Bk S
2       4.063653000          203.637829000
2       1.883995000          -11.667761000
2       0.886567000           -2.227776000
Bk P
2       3.986181000          118.715410000
2       2.000160000           14.614616000
2       0.960841000           -2.062679000
Bk D
2       4.147972000           60.829711000
2       2.234563000           29.058027000
2       0.913695000            2.631080000
Bk F
2       3.998938000           49.018886000
2       1.998840000          -26.010171000
2       0.995641000            2.509418000
Bk G
2       4.546792000          -44.641695000
2       0.295253000            0.440153000
end
basis "Cf_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Cf    S
     10.4687000              0.1846040
      6.9795690             -1.2965940
      4.6527560              3.4178270
      3.1020310             -3.2195380
Cf    S
      0.7821150              1.0000000
Cf    S
      0.3689890              1.0000000
Cf    S
      0.0770900              1.0000000
Cf    S
      0.0303740              1.0000000
Cf    P
      9.1227940             -0.0202820
      6.0818630              0.0638650
      4.0545750              0.1004600
      2.7030500             -0.4123110
Cf    P
      0.7322650              1.0000000
Cf    P
      0.3079780              1.0000000
Cf    P
      0.0616650              1.0000000
Cf    P
      0.0150500              1.0000000
Cf    D
      3.7360750              0.0136870
      2.4902140             -0.0690280
      0.8888290              0.1565290
Cf    D
      0.3844070              1.0000000
Cf    D
      0.1497000              1.0000000
Cf    D
      0.0531450              1.0000000
Cf    F
     14.2301040              0.0120850
      3.3861670              0.3221160
      1.6617850              0.4611230
Cf    F
      0.6834420              1.0000000
Cf    F
      0.2416560              1.0000000
Cf    G
      2.0200000              1.0000000
Cf    G
      0.6300000              1.0000000
end


ecp "Cf_stuttgart rlc"
Cf nelec 78
Cf ul
2       1.000000000            0.000000000
Cf S
2       4.063653000          263.527609000
2       1.883995000          -12.595167000
2       0.886567000           -5.520887000
Cf P
2       3.986181000          118.668910000
2       2.000160000           14.422696000
2       0.960841000           -2.426644000
Cf D
2       4.147972000           60.818653000
2       2.234563000           28.989469000
2       0.913695000            2.266591000
Cf F
2       3.998938000           48.415376000
2       1.998840000          -26.421916000
2       0.995641000            2.891692000
Cf G
2       5.232491000          -52.587008000
2       0.243751000            0.352044000
end
basis "Es_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Es    S
     10.6465220              0.1761280
      7.0976810             -1.2641950
      4.7317870              3.3976820
      3.1545250             -3.2554800
Es    S
      0.8135990              1.0000000
Es    S
      0.3846960              1.0000000
Es    S
      0.0786830              1.0000000
Es    S
      0.0309250              1.0000000
Es    P
      8.8997400             -0.0294250
      5.9331600              0.1152900
      3.9554400              0.0081060
      2.6369600             -0.3815860
Es    P
      0.7654780              1.0000000
Es    P
      0.3208260              1.0000000
Es    P
      0.0628750              1.0000000
Es    P
      0.0152460              1.0000000
Es    D
      4.7675570              0.0133700
      2.9571700             -0.0537940
      0.7222570              0.2413910
Es    D
      0.3087550              1.0000000
Es    D
      0.1244680              1.0000000
Es    D
      0.0465140              1.0000000
Es    F
     14.4143500              0.0156580
      3.6407300              0.3169930
      1.8056490              0.4821520
Es    F
      0.7412470              1.0000000
Es    F
      0.2612550              1.0000000
Es    G
      2.0800000              1.0000000
Es    G
      0.6500000              1.0000000
end


ecp "Es_stuttgart rlc"
Es nelec 78
Es ul
2       1.000000000            0.000000000
Es S
2       4.063653000          253.521830000
2       1.883995000          -12.758501000
2       0.886567000           -5.800753000
Es P
2       3.986181000          118.674152000
2       2.000160000           14.342959000
2       0.960841000           -2.994427000
Es D
2       4.147972000           60.844869000
2       2.234563000           29.123412000
2       0.913695000            1.811065000
Es F
2       3.998938000           48.232791000
2       1.998840000          -27.287675000
2       0.995641000            3.320396000
Es G
2       5.674539000          -57.407820000
2       0.271730000            0.393800000
end
basis "Fm_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Fm    S
     10.7588270              0.1814860
      7.1725510             -1.2994410
      4.7817010              3.4979230
      3.1878000             -3.3675860
Fm    S
      0.8520540              1.0000000
Fm    S
      0.4054190              1.0000000
Fm    S
      0.0802740              1.0000000
Fm    S
      0.0314830              1.0000000
Fm    P
      7.3672040             -0.0364020
      4.9108760              0.2272540
      2.9729090             -0.4722210
      0.7879560              0.6979440
Fm    P
      0.3532160              1.0000000
Fm    P
      0.1181410              1.0000000
Fm    P
      0.0403570              1.0000000
Fm    P
      0.0108980              1.0000000
Fm    D
      4.7916180              0.0146930
      3.0489580             -0.0545640
      0.7441840              0.2432000
Fm    D
      0.3165720              1.0000000
Fm    D
      0.1269570              1.0000000
Fm    D
      0.0471480              1.0000000
Fm    F
     14.8061920              0.0183250
      3.9000190              0.2950550
      1.9457800              0.4932440
Fm    F
      0.7981540              1.0000000
Fm    F
      0.2802310              1.0000000
Fm    G
      2.2100000              1.0000000
Fm    G
      0.7000000              1.0000000
end


ecp "Fm_stuttgart rlc"
Fm nelec 78
Fm ul
2       1.000000000            0.000000000
Fm S
2       4.063653000          253.476841000
2       1.883995000          -12.920523000
2       0.886567000           -6.591056000
Fm P
2       3.986181000          118.706857000
2       2.000160000           14.360631000
2       0.960841000           -3.663087000
Fm D
2       4.147972000           60.816163000
2       2.234563000           28.945955000
2       0.913695000            1.400804000
Fm F
2       3.998938000           47.932397000
2       1.998840000          -27.413196000
2       0.995641000            3.464577000
Fm G
2       6.119053000          -62.126836000
2       0.303551000            0.439572000
end
basis "Md_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Md    S
     10.4785060              0.2443880
      6.9856710             -1.6753500
      4.6571140              4.3401660
      3.1047420             -4.0874640
Md    S
      0.9440160              1.0000000
Md    S
      0.4613860              1.0000000
Md    S
      0.0809620              1.0000000
Md    S
      0.0318010              1.0000000
Md    P
      7.2938400             -0.0361000
      4.8630470              0.2511630
      3.0403170             -0.5130490
      0.8629920              0.6465640
Md    P
      0.4227390              1.0000000
Md    P
      0.1923680              1.0000000
Md    P
      0.0501460              1.0000000
Md    P
      0.0040390              1.0000000
Md    D
      5.3500450              0.0101030
      3.0106320             -0.0501600
      0.7653980              0.2483860
Md    D
      0.3203070              1.0000000
Md    D
      0.1264090              1.0000000
Md    D
      0.0464610              1.0000000
Md    F
     15.3181320              0.0202410
      4.1456120              0.2721840
      2.0723740              0.5039190
Md    F
      0.8513500              1.0000000
Md    F
      0.2981560              1.0000000
Md    G
      2.3000000              1.0000000
Md    G
      0.7300000              1.0000000
end


ecp "Md_stuttgart rlc"
Md nelec 78
Md ul
2       1.000000000            0.000000000
Md S
2       4.063653000          303.343129000
2       1.883995000          -13.768663000
2       0.886567000           -9.545129000
Md P
2       3.986181000          118.596770000
2       2.000160000           13.973068000
2       0.960841000           -4.303232000
Md D
2       4.147972000           60.831769000
2       2.234563000           29.009879000
2       0.913695000            0.983959000
Md F
2       3.998938000           47.922929000
2       1.998840000          -27.025078000
2       0.995641000            3.386758000
Md G
2       6.582119000          -67.006765000
2       0.334542000            0.486220000
end
basis "No_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
No    S
     10.5500640              0.2460360
      7.0333770             -1.6659760
      4.6889170              4.2797680
      3.1259450             -4.0009080
No    S
      0.9136190              1.0000000
No    S
      0.4335410              1.0000000
No    S
      0.0705070              1.0000000
No    S
      0.0277230              1.0000000
No    P
      7.2126040             -0.0315180
      4.8084910              0.2350020
      3.0269210             -0.4843320
      0.8335940              0.6465870
No    P
      0.3842610              1.0000000
No    P
      0.1619280              1.0000000
No    P
      0.0392760              1.0000000
No    P
      0.0096540              1.0000000
No    D
      2.2472690             -0.0290700
      0.8464050              0.1094090
      0.3358880              0.2305710
No    D
      0.1253000              1.0000000
No    D
      0.0466790              1.0000000
No    D
      0.0173090              1.0000000
No    F
     16.8637190              0.0231750
      4.9464410              0.2204960
      2.4231320              0.5148740
No    F
      0.9882010              1.0000000
No    F
      0.3418850              1.0000000
No    G
      2.5600000              1.0000000
No    G
      0.8200000              1.0000000
end


ecp "No_stuttgart rlc"
No nelec 78
No ul
2       1.000000000            0.000000000
No S
2       4.063653000          303.281335000
2       1.883995000          -14.016624000
2       0.886567000           -9.935065000
No P
2       3.986181000          118.532926000
2       2.000160000           13.754070000
2       0.960841000           -4.289201000
No D
2       4.147972000           60.919646000
2       2.234563000           29.430159000
2       0.913695000            0.736525000
No F
2       3.998938000           45.875353000
2       1.998840000          -29.564413000
2       0.995641000            4.860161000
No G
2       7.081770000          -72.344985000
2       0.359223000            0.530597000
end
basis "Lr_stuttgart rlc"
#basis SET: (8s,8p,6d,5f,2g) -> [5s,5p,4d,3f,2g]
Lr    S
     10.1456750              0.3039820
      6.7643220             -2.0335410
      4.5095480              5.1691290
      3.0063650             -4.8520130
Lr    S
      1.0737890              1.0000000
Lr    S
      0.5279120              1.0000000
Lr    S
      0.0858790              1.0000000
Lr    S
      0.0339150              1.0000000
Lr    P
      6.9311460             -0.0346010
      4.6204770              0.3009700
      3.1317520             -0.5515050
      0.8384750              0.6690650
Lr    P
      0.3963410              1.0000000
Lr    P
      0.1675290              1.0000000
Lr    P
      0.0625550              1.0000000
Lr    P
      0.0231000              1.0000000
Lr    D
      4.6951760             -0.0154400
      3.1304290              0.0477220
      0.7128390             -0.2309240
Lr    D
      0.2845060              1.0000000
Lr    D
      0.1069760              1.0000000
Lr    D
      0.0376250              1.0000000
Lr    F
     20.1066180              0.0225040
      6.3747990              0.1614720
      2.9695080              0.5336010
Lr    F
      1.2481740              1.0000000
Lr    F
      0.4429700              1.0000000
Lr    G
      2.9100000              1.0000000
Lr    G
      0.9500000              1.0000000
end


ecp "Lr_stuttgart rlc"
Lr nelec 78
Lr ul
2       1.000000000            0.000000000
Lr S
2       4.063653000          353.224920000
2       1.883995000          -14.710080000
2       0.886567000          -12.359256000
Lr P
2       3.986181000          118.525956000
2       2.000160000           13.723600000
2       0.960841000           -4.443577000
Lr D
2       4.147972000           61.130114000
2       2.234563000           30.326743000
2       0.913695000            0.464219000
Lr F
2       3.998938000           44.051278000
2       1.998840000          -31.822353000
2       0.995641000            6.373566000
Lr G
2       7.539585000          -76.800264000
2       0.400426000            0.583576000
end