TOTAL ENERGY            =       -144.39607 EV
  ELECTRONIC ENERGY       =       -232.15162 EV  POINT GROUP:     C2v 
  CORE-CORE REPULSION     =         87.75555 EV

  IONIZATION POTENTIAL    =          9.25340
  NO. OF FILLED LEVELS    =          3
  MOLECULAR WEIGHT        =     14.027