 Etot  =      -74.508653
 Ekin  =       74.223804
 Ecoul =       36.347300
 Eenuc =     -177.326837
 Exc   =       -7.752920
 1sP       -18.758088
 2sP        -0.872436
 2pM        -0.339042
 2pP        -0.337689
