 Etot  =   -13388.048594
 Ekin  =    13382.810298
 Ecoul =     5393.365097
 Eenuc =   -31891.798397
 Exc   =     -272.425592
 1s      -2084.069389
 2s       -337.978976
 2p       -323.178219
 3s        -75.476630
 3p        -68.698655
 3d        -56.026315
 4s        -14.312076
 4p        -11.558246
 4d         -6.574963
 4f         -0.286408
 5s         -1.683886
 5p         -0.966137
 6s         -0.136989
