 Etot  =    -3590.981773
 Ekin  =     3701.937131
 Ecoul =     1479.762803
 Eenuc =    -8666.747028
 Exc   =     -105.934679
 1sP      -651.299693
 2sP       -90.341290
 2pM       -82.836701
 2pP       -79.706582
 3sP       -14.787806
 3pM       -11.976640
 3pP       -11.477238
 3dM        -6.481276
 3dP        -6.389633
 4sP        -1.998169
 4pM        -1.238365
 4pP        -1.172340
 4dM        -0.140845
 4dP        -0.136069
 5sP        -0.168231
