 Etot  =    -7100.053748
 Ekin  =     7431.484559
 Ecoul =     2792.261610
 Eenuc =   -17159.132828
 Exc   =     -164.667089
 1s      -1205.425191
 2s       -186.796750
 2p       -167.973458
 3s        -37.985498
 3p        -31.859493
 3d        -22.621051
 4s         -6.953037
 4p         -5.024672
 4d         -2.202988
 5s         -0.972667
 5p         -0.570852
