 Etot  =    -5737.309064
 Ekin  =     5733.944120
 Ecoul =     2334.432447
 Eenuc =   -13654.870647
 Exc   =     -150.814984
 1s       -983.647445
 2s       -144.078357
 2p       -134.628845
 3s        -27.220600
 3p        -23.345778
 3d        -16.139823
 4s         -4.062639
 4p         -2.795832
 4d         -0.730481
 5s         -0.290497
 5p         -0.101782
