 Etot  =    -7228.856107
 Ekin  =     7225.097817
 Ecoul =     2880.919348
 Eenuc =   -17159.159426
 Exc   =     -175.713845
 1s      -1208.688993
 2s       -183.327495
 2p       -172.599583
 3s        -37.415454
 3p        -32.867042
 3d        -24.378230
 4s         -6.678340
 4p         -5.063802
 4d         -2.286666
 5s         -0.672086
 5p         -0.309835
