 Etot  =   -17210.156037
 Ekin  =    19009.950746
 Ecoul =     6690.475376
 Eenuc =   -42615.476432
 Exc   =     -295.105726
 1s      -2696.650358
 2s       -470.427886
 2p       -410.326517
 3s       -109.750715
 3p        -92.064387
 3d        -72.227471
 4s        -23.365951
 4p        -17.550995
 4d        -10.309845
 4f         -2.230705
 5s         -3.656739
 5p         -2.169775
 5d         -0.530165
 6s         -0.493236
