 Etot  =     -199.139406
 Ekin  =      198.541505
 Ecoul =       95.673290
 Eenuc =     -477.899149
 Exc   =      -15.455051
 1s        -45.973167
 2s         -2.903746
 2p         -1.718970
 3s         -0.175427
