 Etot  =    -6310.085269
 Ekin  =     6306.593985
 Ecoul =     2529.168965
 Eenuc =   -14985.466463
 Exc   =     -160.381755
 1sD     -1071.136925
 1su     -1071.134968
 2sD      -159.483122
 2su      -159.482193
 2pD      -149.526155
 2pu      -149.524647
 3sD       -31.409632
 3su       -31.407851
 3pD       -27.267682
 3pu       -27.265750
 3dD       -19.551281
 3du       -19.549515
 4sD        -5.361324
 4su        -5.357329
 4pD        -3.958432
 4pu        -3.953852
 4dD        -1.610069
 4du        -1.601594
 5sD        -0.748679
 5su        -0.702032
 5pD        -0.468613
 5pu        -0.421322
