 Etot  =     -288.696925
 Ekin  =      288.990326
 Ecoul =      131.982541
 Eenuc =     -690.205114
 Exc   =      -19.464678
 1sP       -65.257513
 2sP        -5.093273
 2pM        -3.528149
 2pP        -3.504432
 3sP        -0.399512
 3pM        -0.153803
 3pP        -0.152602
