# Ce basis set and ECP converted from expt format
#
# basis set for cerium
# by a oleynichenko, 11 apr 2024
#
# primitive Gaussians are taken from the SARC2-QZVP-DKH basis set.
# contracted functions were obtained by the ANO procedure. density
# matrices were obtained at the scalar-relativistic CCSD level in the
# CFOUR program. the averaging was performed over the 4f and 5f states
# of the Ce^{3+} ion.
#


#BASIS SET: (10s,9p,9d,7f,3g) -> [4s,5p,5d,5f,3g]
Ce    S
5.16479694e+01 -1.01968100e-02 3.04110000e-03 -3.41740000e-04 7.47929400e-02
2.16583952e+01 1.71188760e-01 -9.42219800e-02 -1.43155580e-01 -1.78185270e-01
9.08237226e+00 -9.18695540e-01 6.38578900e-01 1.26674006e+00 -1.23795734e+00
3.80866103e+00 8.36209100e-01 -7.79153970e-01 -2.70581513e+00 5.07376367e+00
1.59714867e+00 6.78544970e-01 -8.98391570e-01 9.28577080e-01 -7.44590103e+00
6.69758710e-01 -1.67700000e-02 9.68247600e-01 2.26034001e+00 6.30886394e+00
2.80860970e-01 1.16547830e-01 6.18198080e-01 -2.17929948e+00 -2.84082821e+00
1.17778070e-01 -3.86094800e-02 -1.50178600e-02 3.01742930e-01 4.21738970e-01
4.93898200e-02 1.83921700e-02 1.04346700e-02 -1.67583350e-01 -2.65801920e-01
2.07114500e-02 -5.19321000e-03 -2.73249000e-03 4.77502600e-02 7.74289600e-02
Ce    P
2.17186829e+01 -1.71327800e-02 -1.47283700e-02 -5.43050000e-02 -2.21742770e-01 -7.60838150e-01
9.01247255e+00 -2.61072220e-01 -1.33359370e-01 -1.78021450e-01 3.25706230e-01 2.70974491e+00
3.73985209e+00 8.17042490e-01 5.63611670e-01 1.37567578e+00 1.41715119e+00 -2.93803802e+00
1.55190416e+00 3.71183550e-01 1.96747280e-01 -1.10158567e+00 -3.14931098e+00 1.85139755e+00
6.43984430e-01 4.51407200e-02 -7.03206730e-01 -7.86136920e-01 3.19685255e+00 -2.16065630e-01
2.67230390e-01 2.61872200e-02 -4.92288030e-01 1.17170464e+00 -1.59601951e+00 -1.26291284e+00
1.10891000e-01 -9.74150000e-04 4.15866000e-03 -1.56114700e-02 9.15305900e-02 1.57902048e+00
4.60157800e-02 8.64990000e-04 -1.14225900e-02 4.86120000e-02 -1.24157360e-01 -6.02643150e-01
1.90948900e-02 -2.69960000e-04 3.71322000e-03 -1.63166000e-02 4.16843400e-02 1.83112950e-01
Ce    D
3.67216201e+01 2.80421000e-03 -1.38014000e-03 -5.42549000e-03 -1.31715500e-02 -7.43590300e-02
1.56839588e+01 3.15734700e-02 -1.31055300e-02 8.61903200e-02 1.81101160e-01 1.44635640e-01
6.69868491e+00 -2.72335740e-01 1.30500750e-01 -5.08133180e-01 -1.18694503e+00 1.26570136e+00
2.86103656e+00 -6.15981040e-01 2.74918240e-01 -3.84487550e-01 8.38287730e-01 -2.50783923e+00
1.22196078e+00 -2.30533380e-01 -8.53239700e-02 9.70265690e-01 6.87115080e-01 2.70740152e+00
5.21904600e-01 -3.09982700e-02 -5.24768200e-01 2.23728060e-01 -1.58899998e+00 -1.91359780e+00
2.22907650e-01 5.54264000e-03 -4.62265830e-01 -6.94641850e-01 9.33322250e-01 6.05100930e-01
9.52048000e-02 -3.01224000e-03 -8.38412600e-02 -1.24422830e-01 1.09824940e-01 2.24597600e-01
4.06623700e-02 1.01186000e-03 2.65697000e-03 -1.23781000e-03 2.59959600e-02 -2.43118000e-03
Ce    F
5.60402989e+01 -1.76641100e-02 -1.76343200e-02 3.36451300e-02 3.33126200e-02 1.64910000e-04
2.24911108e+01 -6.65112000e-02 -2.76816600e-02 -1.52619000e-02 6.22804900e-02 4.11998060e-01
9.02654114e+00 -2.32076120e-01 -2.91456400e-01 6.66835180e-01 9.36765720e-01 1.47815960e-01
3.62269546e+00 -4.05731430e-01 -5.55095330e-01 -9.97973700e-02 -1.37109745e+00 -8.68499510e-01
1.45392595e+00 -3.77845240e-01 3.27744510e-01 -9.88512400e-01 8.57319680e-01 1.30842623e+00
5.83515970e-01 -2.41255360e-01 5.90737170e-01 7.42673410e-01 7.37840900e-02 -1.55937082e+00
2.34187230e-01 -6.48212100e-02 9.07576800e-02 2.00852120e-01 -6.57207220e-01 1.17651498e+00
Ce    G
2.27525000e+01 -4.96266200e-02 -7.06742800e-02 1.02111836e+00
4.75000000e+00 -6.94007820e-01 -7.21675330e-01 -3.13662640e-01
9.91649300e-01 -5.74131130e-01 8.45656740e-01 7.33381300e-02
Ce    H
9.4642000            -0.37140962            -1.10860667
3.7911392            -0.75576725             0.89205925
END

#
# 30e-GRECP for Ce   by N.S.Mosyagin from 20.05.13
# Pseudospinors from the 4f^1 5d^1 6s^0.7 6p^0.3 state
#


ECP
Ce nelec 28
Ce ul
1     148.23398733 8.58586082 -0.69175758
1     110.64928310 -14.65158904 1.42351153
1     27.81144191 -9.65847703 0.00414239
1     9.72183601 -1.55788018 0.01062760
1     1.08506809 0.02317519 -0.00033970
2     0.92302710 0.00411751 0.00104903
Ce S
0     222.27087774 6.00000000
1     96.86799659 53.11816255
2     126.00263633 613.76078284
2     30.02180333 1560.54473425
2     22.15199732 -2239.75235109
2     16.48199066 1539.35816244
2     12.07347616 -209.84276495
2     1.52867172 -0.05508171
2     0.58315090 -0.00510438
Ce P
0     0.25454001 5.00000000 0.00000000
1     37.28813090 -12.34759431 -7.63949553
1     24.09226522 110.95097650 26.52678550
1     15.81618259 -248.38389411 -33.79061472
1     10.85458766 187.75433445 15.31244471
2     5.84522653 -155.79715047 5.24327510
2     4.12229699 92.97705015 -4.24439607
2     2.87528080 -40.66608334 1.00681416
2     0.82479818 -4.15490468 -0.01073962
2     0.34571967 -1.18146687 -0.00011682
2     0.13565265 -0.00519536 0.00000275
2     0.05724206 0.00013087 0.00000197
Ce D
0     26.03217038 3.00000000 0.00000000
1     5.15833911 23.00441214 0.24150812
1     2.61151104 9.53691495 -0.21899881
2     4.51343091 -49.70024701 0.50956078
2     1.78217655 -2.23929855 0.08117431
2     1.24649411 0.30542149 -0.01941747
2     0.00454228 0.00000365 0.00000058
END