 Etot  =    -6608.631413
 Ekin  =     6605.034216
 Ecoul =     2653.969369
 Eenuc =   -15702.061477
 Exc   =     -165.573522
 1s      -1115.831819
 2s       -167.021776
 2p       -156.808583
 3s        -33.137485
 3p        -28.860685
 3d        -20.887801
 4s         -5.572846
 4p         -4.100084
 4d         -1.608381
 5s         -0.520997
 5p         -0.226594
