 Etot  =    -4039.998874
 Ekin  =     4178.636871
 Ecoul =     1646.987758
 Eenuc =    -9751.211671
 Exc   =     -114.411833
 1sP      -724.447919
 2sP      -102.642730
 2pM       -94.598493
 2pP       -90.714471
 3sP       -17.663046
 3pM       -14.581276
 3pP       -13.940761
 3dM        -8.448293
 3dP        -8.326469
 4sP        -2.611034
 4pM        -1.731048
 4pP        -1.638878
 4dM        -0.396820
 4dP        -0.388852
