 Etot  =    -2073.525877
 Ekin  =     2071.520973
 Ecoul =      885.543646
 Eenuc =    -4955.073535
 Exc   =      -75.516961
 1s       -396.629338
 2s        -49.388690
 2p        -44.053954
 3s         -6.294617
 3p         -4.527944
 3d         -1.449573
 4s         -0.725841
 4p         -0.422156
