 Etot  =     -527.519049
 Ekin  =      529.722274
 Ecoul =      232.084684
 Eenuc =    -1260.276935
 Exc   =      -29.049073
 1sP      -114.077082
 2sP       -10.860926
 2pM        -8.496195
 2pP        -8.414503
 3sP        -0.890597
 3pM        -0.386117
 3pP        -0.379536
