 Etot  =    -1921.851924
 Ekin  =     1919.901853
 Ecoul =      833.827780
 Eenuc =    -4603.654197
 Exc   =      -71.927360
 1sD      -370.168538
 1su      -370.167766
 2sD       -45.198492
 2su       -45.198361
 2pD       -40.091119
 2pu       -40.090664
 3sD        -5.239570
 3su        -5.238913
 3pD        -3.582704
 3pu        -3.581826
 3dD        -0.735030
 3du        -0.732588
 4sD        -0.336369
 4su        -0.314666
 4pD        -0.110200
 4pu        -0.088291
