 Etot  =    -3811.171973
 Ekin  =     3914.455159
 Ecoul =     1566.800053
 Eenuc =    -9182.333202
 Exc   =     -110.093984
 1s       -687.522675
 2s        -96.289740
 2p        -86.134636
 3s        -16.048696
 3p        -12.714637
 3d         -7.225107
 4s         -2.142766
 4p         -1.270420
 4d         -0.118240
 5s         -0.153585
