 Etot  =   -21861.346869
 Ekin  =    21854.672700
 Ecoul =     8632.016039
 Eenuc =   -51966.120382
 Exc   =     -381.915225
 1s      -3204.756288
 2s       -546.577960
 2p       -527.533025
 3s       -133.369144
 3p       -124.172862
 3d       -106.945006
 4s        -31.230804
 4p        -27.108985
 4d        -19.449994
 4f         -8.953318
 5s         -5.889683
 5p         -4.408702
 5d         -1.911329
 6s         -0.626570
 6p         -0.293180
