 Etot  =       -7.343957
 Ekin  =        7.249892
 Ecoul =        4.009258
 Eenuc =      -16.937918
 Exc   =       -1.665189
 1sD        -1.874926
 1su        -1.867175
 2sD        -0.116305
 2su        -0.076855
