 Etot  =     -288.198397
 Ekin  =      287.487740
 Ecoul =      131.767814
 Eenuc =     -687.900675
 Exc   =      -19.553276
 1s        -65.184426
 2s         -5.075056
 2p         -3.514938
 3s         -0.398139
 3p         -0.153293
