 Etot  =     -161.601623
 Ekin  =      161.344619
 Ecoul =       79.799934
 Eenuc =     -389.266444
 Exc   =      -13.479731
 1s        -37.738621
 2s         -2.068595
 2p         -1.059602
 3s         -0.103523
