 Etot  =    -1380.167299
 Ekin  =     1378.552711
 Ecoul =      589.395030
 Eenuc =    -3291.553847
 Exc   =      -56.561193
 1sD      -275.605654
 1su      -275.604880
 2sD       -32.397669
 2su       -32.335690
 2pD       -28.162856
 2pu       -28.115711
 3sD        -3.699797
 3su        -3.582479
 3pD        -2.435284
 3pu        -2.320662
 3dD        -0.364720
 3du        -0.263433
 4sD        -0.213378
 4su        -0.194252
