 Etot  =   -20827.188652
 Ekin  =    23456.921585
 Ecoul =     8027.843592
 Eenuc =   -51979.373091
 Exc   =     -332.580738
 1s      -3215.862876
 2s       -575.785358
 2p       -494.685076
 3s       -138.297315
 3p       -115.001988
 3d        -91.172486
 4s        -31.282373
 4p        -23.632578
 4d        -14.756230
 4f         -4.913467
 5s         -5.282191
 5p         -3.150698
 5d         -0.784774
 6s         -0.450774
 6p         -0.136111
