 Etot  =    -6779.321924
 Ekin  =     7083.078236
 Ecoul =     2695.034410
 Eenuc =   -16397.198253
 Exc   =     -160.236317
 1s      -1155.589771
 2s       -177.451470
 2p       -159.564664
 3s        -35.312307
 3p        -29.472693
 3d        -20.581119
 4s         -6.008535
 4p         -4.190569
 4d         -1.534776
 5s         -0.562882
 5p         -0.224596
