 Etot  =    -1380.091264
 Ekin  =     1378.468819
 Ecoul =      589.169216
 Eenuc =    -3291.260194
 Exc   =      -56.469106
 1s       -275.616639
 2s        -32.379758
 2p        -28.152095
 3s         -3.651812
 3p         -2.388285
 3d         -0.322368
 4s         -0.204497
