 Etot  =      -73.898983
 Ekin  =       73.646241
 Ecoul =       31.704142
 Eenuc =     -171.944802
 Exc   =       -7.304565
 1sP       -19.450867
 2sP        -1.447421
 2pM        -0.904944
 2pP        -0.903314
