 Etot  =     -199.139406
 Ekin  =      198.541505
 Ecoul =       95.673290
 Eenuc =     -477.899149
 Exc   =      -15.455051
 1sD       -45.973167
 1su       -45.973167
 2sD        -2.903746
 2su        -2.903746
 2pD        -1.718970
 2pu        -1.718970
 3sD        -0.175427
 3su        -0.175427
