 Etot  =    -4935.018267
 Ekin  =     4931.911539
 Ecoul =     2012.514675
 Eenuc =   -11743.433281
 Exc   =     -136.011201
 1s       -860.558354
 2s       -123.530879
 2p       -114.833819
 3s        -22.486920
 3p        -19.006804
 3d        -12.558310
 4s         -3.311422
 4p         -2.234607
 4d         -0.555050
