 Etot  =    -2570.620700
 Ekin  =     2568.365427
 Ecoul =     1098.492305
 Eenuc =    -6149.802515
 Exc   =      -87.675917
 1s       -480.182643
 2s        -61.710022
 2p        -55.677960
 3s         -8.409057
 3p         -6.298805
 3d         -2.522110
 4s         -0.720066
 4p         -0.295334
