 Etot  =    -1261.223291
 Ekin  =     1259.697871
 Ecoul =      535.733366
 Eenuc =    -3003.635009
 Exc   =      -53.019519
 1sD      -254.203661
 1su      -254.202872
 2sD       -29.577122
 2su       -29.501754
 2pD       -25.555535
 2pu       -25.498083
 3sD        -3.415446
 3su        -3.263810
 3pD        -2.241326
 3pu        -2.093198
 3dD        -0.343804
 3du        -0.213912
 4sD        -0.209988
 4su        -0.182613
