Calcium (II, 2p frozen)
 
BASIS
1S  15.8
2S   6.9
2P   8.1

3S   2.6
3S   3.9
3P   2.1
3P   3.4
4S   0.8
4S   1.35
4P   1.06
3D   2.000
END
 
CORE    2  1  0  0
 1S  24.40
 1S  18.25
 2S   7.40
 2S   4.85
 3S   4.00
 3S   2.55
 4S   0.70
 4S   1.05
 4S   1.65
 2P  10.85
 2P   6.45
 3P   1.85
 3P   2.70
 3P   4.00
END
 
DESCRIPTION
    .25978903709524903132E+00   .74365971124386254232E+00
    .19801809519918053132E-01  -.26605534704150949482E-01
    .18444137019035720254E-01  -.89171176145810583658E-02
    .99035096060814107634E-03  -.26873266289614431215E-02
    .40566496729237287375E-02
    .64426021816616413362E-01  -.42791094672971730084E+00
    .10247938352085514957E+01   .71896700986887426832E-01
   -.20267966657095008720E-01   .12637023733740947173E-01
   -.19883421378967011499E-02   .51898500187391605892E-02
   -.72138407383330587636E-02
    .35199926078806187402E+00   .68352910944844436081E+00
    .14703805309505895652E-02  -.22338226179057377521E-02
    .25619218592213529109E-02
 
0/
END
 
FIT
 1S  31.80
 2S  29.37
 3S  25.15
 4S  21.06
 4S  13.99
 5S  11.64
 5S   8.05
 6S   6.69
 6S   4.76
 6S   3.39
 7S   2.82
 7S   2.06
 7S   1.50
 2P  24.10
 3P  14.78
 4P   9.29
 5P   5.98
 6P   3.94
 6P   2.24
 7P   1.50
 3D  16.20
 4D  10.47
 5D   6.91
 6D   4.65
 6D   2.70
 7D   1.85
 4F   7.00
 5F   4.00
 5G   3.50
END
 
FITCOEFFICIENTS
   .567497268648811470E+02  -.452377281899367176E+03   .326145159087736033E+03
   .337765644703942453E+05   .131300324467109522E+04  -.704903218559526340E+04
   .755210587728052587E+03   .281241738156731174E+03   .864928185630532020E+01
  -.230025056878739281E+00   .366639011114029689E-01   .905663001010961841E-03
   .160080832168547530E-04   .000000000000000000E+00   .000000000000000000E+00
/
END