 Etot  =    -6914.356799
 Ekin  =     6910.704147
 Ecoul =     2747.774697
 Eenuc =   -16402.522403
 Exc   =     -170.313240
 1s      -1162.141405
 2s       -175.426375
 2p       -164.956623
 3s        -35.595054
 3p        -31.182851
 3d        -22.952488
 4s         -6.465584
 4p         -4.922087
 4d         -2.286730
 5s         -0.917168
 5p         -0.570726
