 Etot  =     -198.843406
 Ekin  =      198.263199
 Ecoul =       91.895741
 Eenuc =     -473.740438
 Exc   =      -15.261908
 1s        -46.312649
 2s         -3.238150
 2p         -2.052878
 3s         -0.422702
