 Etot  =    -5737.101461
 Ekin  =     5733.753634
 Ecoul =     2321.096294
 Eenuc =   -13641.317213
 Exc   =     -150.634176
 1s       -983.924901
 2s       -144.354301
 2p       -134.904998
 3s        -27.496401
 3p        -23.621599
 3d        -16.415572
 4s         -4.338471
 4p         -3.071699
 4d         -1.005437
 5s         -0.536302
