 Etot  =     -758.421520
 Ekin  =      757.283209
 Ecoul =      313.264138
 Eenuc =    -1792.224524
 Exc   =      -36.744343
 1s       -160.448005
 2s        -17.466470
 2p        -14.500362
 3s         -2.248011
 3p         -1.492431
 3d         -0.380828
 4s         -0.363506
