 Etot  =     -288.696551
 Ekin  =      288.863348
 Ecoul =      131.967556
 Eenuc =     -690.065800
 Exc   =      -19.461655
 1s        -65.262441
 2s         -5.093723
 2p         -3.512816
 3s         -0.399527
 3p         -0.153009
