# Output Energies: Core, Semicore, Valence, Pot, Coul, Exch, Kin, Tot
  -103969.718946262       -33.5724172521385       -37.4115549783388     
  -285471.668386764       -349103.517086346       -4448.93035378420     
   181430.965468271       -172121.481971860