 Etot  =    -1269.229080
 Ekin  =     1284.299765
 Ecoul =      537.849537
 Eenuc =    -3039.130268
 Exc   =      -52.248113
 1sP      -255.897914
 2sP       -29.990901
 2pM       -25.920510
 2pP       -25.464756
 3sP        -3.428882
 3pM        -2.238116
 3pP        -2.181222
 3dM        -0.289195
 3dP        -0.283569
 4sP        -0.201119
