 Etot  =    -3377.795087
 Ekin  =     3476.653369
 Ecoul =     1385.411096
 Eenuc =    -8138.318816
 Exc   =     -101.540735
 1sP      -616.693596
 2sP       -84.909005
 2pM       -77.669654
 2pP       -74.871319
 3sP       -13.831492
 3pM       -11.152970
 3pP       -10.714400
 3dM        -5.964289
 3dP        -5.885502
 4sP        -2.101468
 4pM        -1.398635
 4pP        -1.343147
 5sP        -0.385374
