 Etot  =    -4683.301031
 Ekin  =     4680.264572
 Ecoul =     1923.261557
 Eenuc =   -11155.543060
 Exc   =     -131.284100
 1s       -821.136773
 2s       -116.806950
 2p       -108.357665
 3s        -20.765603
 3p        -17.415299
 3d        -11.217250
 4s         -2.825505
 4p         -1.806456
 4d         -0.239422
 5s         -0.154624
