 Etot  =     -850.886073
 Ekin  =      857.561313
 Ecoul =      350.843715
 Eenuc =    -2020.001722
 Exc   =      -39.289379
 1sP      -178.299896
 2sP       -19.912055
 2pM       -16.709212
 2pP       -16.498300
 3sP        -2.555314
 3pM        -1.711705
 3pP        -1.687323
 3dM        -0.429583
 3dP        -0.427777
 4sP        -0.388925
