 Etot  =    -8217.575230
 Ekin  =     8213.607378
 Ecoul =     3215.018109
 Eenuc =   -19455.494762
 Exc   =     -190.705955
 1s      -1355.622446
 2s       -209.831151
 2p       -198.325243
 3s        -44.856283
 3p        -39.895838
 3d        -30.626696
 4s         -9.000543
 4p         -7.167724
 4d         -3.958010
 5s         -1.324936
 5p         -0.824498
 5d         -0.141085
 6s         -0.132233
