# Output Energies: Core, Semicore, Valence, Pot, Coul, Exch, Kin, Tot
  -47877.9644968433       -21.8888348209821       -19.1542250577050     
  -131491.629105462       -160783.957165065       -2070.20228588148     
   83572.6215487401       -79281.5379022066