 Etot  =     -598.200590
 Ekin  =      597.172130
 Ecoul =      257.381524
 Eenuc =    -1421.104115
 Exc   =      -31.650129
 1s       -128.414957
 2s        -12.839001
 2p        -10.283851
 3s         -1.281897
 3p         -0.693776
 4s         -0.088815
