 Etot  =     -941.523838
 Ekin  =      940.242989
 Ecoul =      393.304524
 Eenuc =    -2232.026429
 Exc   =      -43.044921
 1sD      -195.305623
 1su      -195.306005
 2sD       -21.886900
 2su       -21.840927
 2pD       -18.504753
 2pu       -18.469465
 3sD        -2.665743
 3su        -2.546454
 3pD        -1.755464
 3pu        -1.637791
 3dD        -0.371650
 3du        -0.267381
