 Etot  =    -2600.221333
 Ekin  =     2660.307502
 Ecoul =     1093.299397
 Eenuc =    -6268.001861
 Exc   =      -85.826371
 1sP      -487.182981
 2sP       -63.819266
 2pM       -57.618554
 2pP       -55.885552
 3sP        -9.104206
 3pM        -6.936930
 3pP        -6.686556
 3dM        -2.898800
 3dP        -2.858865
 4sP        -1.122276
 4pM        -0.662384
 4pP        -0.640948
