 Etot  =     -288.409021
 Ekin  =      288.596667
 Ecoul =      127.367361
 Eenuc =     -685.145858
 Exc   =      -19.227190
 1s        -65.618796
 2s         -5.443069
 2p         -3.862780
 3s         -0.701727
 3p         -0.431746
