 Etot  =     -241.454650
 Ekin  =      241.532440
 Ecoul =      109.048509
 Eenuc =     -574.850793
 Exc   =      -17.184806
 1sP       -55.516917
 2sP        -4.254451
 2pM        -2.880389
 2pP        -2.864176
 3sP        -0.547982
