Scandium (II, 2p frozen)
 
BASIS
1S  16.80
2S   7.05
2P   8.45

3S   2.95
3S   4.55
3P   2.30
3P   3.75
3D   0.9
3D   2.0
3D   4.4
4S   0.90
4S   1.55
4P   1.14
END
 
CORE    2  1  0  0
 1S        25.2000
 1S        19.1500
 2S         7.9500
 2S         5.8500
 3S         4.3000
 3S         2.7500
 4S         0.7800
 4S         1.1600
 4S         1.8000
 2P        11.6500
 2P         6.9500
 3P         3.7500
 3P         2.2500
END
 
DESCRIPTION
    .29029417110936545088E+00   .71189450074329496676E+00
    .31817742215137397033E-01  -.36664995145194473336E-01
    .19055838152086793102E-01  -.10742448749755439952E-01
    .12976227389653611360E-02  -.35496901979854317451E-02
    .52594293316297526658E-02
    .71571022659030147928E-01  -.44110458654381412558E+00
    .95590312306231761674E+00   .14985293194116627857E+00
   -.34823080864714403559E-01   .23414742759629472713E-01
   -.34954970532873872770E-02   .93110402798215301245E-02
   -.13089348058523055107E-01
    .33028286323102379329E+00   .70453631072025724169E+00
   -.57154413972497909290E-03   .11988034575525989122E-02

0/
END
 
FIT
 1S  33.60
 2S  32.34
 3S  28.61
 4S  24.65
 4S  16.81
 5S  14.34
 5S  10.15
 6S   8.63
 6S   6.28
 6S   4.57
 7S   3.89
 7S   2.89
 7S   2.15
 7S   1.60
 2P  25.25
 3P  16.38
 4P  10.80
 5P   7.26
 6P   4.97
 6P   2.93
 7P   2.04
 3D  21.20
 4D  13.50
 5D   8.80
 6D   5.86
 6D   3.36
 7D   2.28
 4F  12.85
 5F   7.29
 5F   3.48
 6F   2.04
 5G   7.55
 5G   3.89
 5G   2.00
END
 
FITCOEFFICIENTS
    .705385461220884E+02   -.602928932376447E+03   -.358874185401413E+03
    .434477519843727E+05    .138918291095409E+05   -.231606396963439E+05
   -.152048602487556E+03    .217819007758467E+04    .163360316950266E+03
    .452402836018914E+00    .240694485241015E+00    .287808884541053E-01
    .176862831563832E-02    .170319909421374E-04    .000000000000000E+00
/
END