 Etot  =   -17860.511437
 Ekin  =    17854.449901
 Ecoul =     7147.930811
 Eenuc =   -42529.611115
 Exc   =     -333.281034
 1s      -2683.796683
 2s       -448.175657
 2p       -431.012457
 3s       -105.111852
 3p        -96.994319
 3d        -81.798857
 4s        -22.366035
 4p        -18.866321
 4d        -12.419441
 4f         -3.774515
 5s         -3.403600
 5p         -2.292859
 5d         -0.592422
