 Etot  =    -2255.264694
 Ekin  =     2293.663617
 Ecoul =      955.350526
 Eenuc =    -5426.244312
 Exc   =      -78.034525
 1s       -428.885147
 2s        -54.778213
 2p        -48.176163
 3s         -7.307551
 3p         -5.257662
 3d         -1.864368
 4s         -0.866326
 4p         -0.497571
