 Etot  =    -2570.152878
 Ekin  =     2567.923969
 Ecoul =     1084.510154
 Eenuc =    -6135.245402
 Exc   =      -87.341600
 1s       -480.599887
 2s        -62.123746
 2p        -56.092209
 3s         -8.820428
 3p         -6.710104
 3d         -2.932812
 4s         -1.095094
 4p         -0.648328
