 Etot  =     -161.447625
 Ekin  =      160.907255
 Ecoul =       79.784904
 Eenuc =     -388.606022
 Exc   =      -13.533763
 1sD       -37.715426
 1su       -37.714108
 2sD        -2.059478
 2su        -2.057467
 2pD        -1.057062
 2pu        -1.054327
 3sD        -0.113205
 3su        -0.081539
