 Etot  =    -3972.894262
 Ekin  =     3970.151002
 Ecoul =     1629.554413
 Eenuc =    -9455.383680
 Exc   =     -117.215997
 1sD      -709.457947
 1su      -709.458018
 2sD       -98.735658
 2su       -98.716603
 2pD       -91.021499
 2pu       -91.007021
 3sD       -16.912782
 3su       -16.899540
 3pD       -13.946609
 3pu       -13.932123
 3dD        -8.491594
 3du        -8.472082
 4sD        -2.510632
 4su        -2.411798
 4pD        -1.669536
 4pu        -1.564870
 4dD        -0.430218
 4du        -0.324502
