 Etot  =   -26373.785954
 Ekin  =    30647.359799
 Ecoul =     9857.992062
 Eenuc =   -66497.743484
 Exc   =     -381.394331
 1s      -4014.403780
 2s       -745.034031
 2p       -624.369811
 3s       -186.868857
 3p       -153.141214
 3d       -122.878733
 4s        -46.966396
 4p        -35.922957
 4d        -24.463333
 4f        -12.138754
 5s        -10.367446
 5p         -6.985658
 5d         -3.346091
 6s         -1.689671
 6p         -0.861626
 6d         -0.118704
 7s         -0.167110
