# Output Energies: Core, Semicore, Valence, Pot, Coul, Exch, Kin, Tot
  -51984.9140133103       -16.7838261390644       -18.7086807389793     
  -142735.889812520       -174551.760961039       -2224.46471152370     
   90715.4832923320       -86060.7423802311