 Etot  =    -1260.927746
 Ekin  =     1259.427638
 Ecoul =      527.884341
 Eenuc =    -2995.386226
 Exc   =      -52.853499
 1sD      -254.516781
 1su      -254.514340
 2sD       -29.884795
 2su       -29.808225
 2pD       -25.863680
 2pu       -25.805029
 3sD        -3.726950
 3su        -3.572273
 3pD        -2.553237
 3pu        -2.401237
 3dD        -0.654747
 3du        -0.512576
 4sD        -0.481979
 4su        -0.409916
