 Etot  =    -2783.668475
 Ekin  =     2852.067868
 Ecoul =     1166.452284
 Eenuc =    -6712.385027
 Exc   =      -89.803600
 1sP      -517.900649
 2sP       -68.650112
 2pM       -62.194282
 2pP       -60.230720
 3sP       -10.076921
 3pM        -7.784881
 3pP        -7.495036
 3dM        -3.469096
 3dP        -3.421190
 4sP        -1.252898
 4pM        -0.742006
 4pP        -0.715084
