 Etot  =    -1155.274475
 Ekin  =     1165.723342
 Ecoul =      487.114939
 Eenuc =    -2759.289515
 Exc   =      -48.823241
 1s       -235.134005
 2s        -27.225557
 2p        -23.120578
 3s         -3.132755
 3p         -2.000964
 3d         -0.258430
 4s         -0.193836
