 Etot  =    -1791.814585
 Ekin  =     1821.243270
 Ecoul =      778.401582
 Eenuc =    -4324.261826
 Exc   =      -67.197611
 1sP      -348.238248
 2sP       -42.377969
 2pM       -37.399138
 2pP       -36.527739
 3sP        -4.713596
 3pM        -3.130973
 3pP        -3.018311
 3dM        -0.392096
 3dP        -0.378946
 4sP        -0.228129
