 Etot  =     -288.409393
 Ekin  =      288.723990
 Ecoul =      127.382490
 Eenuc =     -685.285647
 Exc   =      -19.230226
 1sP       -65.613849
 2sP        -5.442609
 2pM        -3.878128
 2pP        -3.854374
 3sP        -0.701700
 3pM        -0.432772
 3pP        -0.431206
