 Etot  =    -2600.045268
 Ekin  =     2650.329405
 Ecoul =     1092.592433
 Eenuc =    -6257.228635
 Exc   =      -85.738471
 1s       -487.359281
 2s        -63.850018
 2p        -56.476111
 3s         -9.107871
 3p         -6.770091
 3d         -2.876052
 4s         -1.122575
 4p         -0.647981
