 Etot  =    -1505.615106
 Ekin  =     1503.911671
 Ecoul =      646.926967
 Eenuc =    -3596.191094
 Exc   =      -60.262650
 1sD      -297.866475
 1su      -297.865844
 2sD       -35.329050
 2su       -35.284388
 2pD       -30.879713
 2pu       -30.845799
 3sD        -3.986475
 3su        -3.906250
 3pD        -2.629164
 3pu        -2.550724
 3dD        -0.380190
 3du        -0.310390
 4sD        -0.216552
 4su        -0.204523
