 Etot  =    -1650.858424
 Ekin  =     1671.934488
 Ecoul =      717.231695
 Eenuc =    -3976.573203
 Exc   =      -63.451404
 1s       -323.674291
 2s        -38.883635
 2p        -33.635392
 3s         -4.183908
 3p         -2.643317
 3d         -0.196202
 4s         -0.178040
