 Etot  =    -2255.607224
 Ekin  =     2293.982566
 Ecoul =      966.934286
 Eenuc =    -5438.224764
 Exc   =      -78.299312
 1s       -428.520694
 2s        -54.416838
 2p        -47.814343
 3s         -6.947157
 3p         -4.897332
 3d         -1.504886
 4s         -0.539201
 4p         -0.196356
