 Etot  =    -1148.644093
 Ekin  =     1147.208134
 Ecoul =      485.852669
 Eenuc =    -2732.070736
 Exc   =      -49.634160
 1sD      -233.658011
 1su      -233.657348
 2sD       -26.864191
 2su       -26.780065
 2pD       -23.054637
 2pu       -22.990345
 3sD        -3.130320
 3su        -2.948447
 3pD        -2.044419
 3pu        -1.866588
 3dD        -0.315317
 3du        -0.160655
 4sD        -0.205962
 4su        -0.168594
