 Etot  =      -37.030361
 Ekin  =       36.837978
 Ecoul =       14.914881
 Eenuc =      -84.383235
 Exc   =       -4.399984
 1sP       -10.498106
 2sP        -0.940794
 2pM        -0.629601
 2pP        -0.629165
