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Electron Affinity calculation details for CH3O (Methoxy radical)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 no    
Energy calculated at PBEPBE/6-31+G**
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -114.9223234     -114.9764756     0.0541522    
cm-1   7546.7     7289.5     257.3  
eV -3127.195 0.936 -3126.260 -3128.669 0.904 -3127.765 1.474 0.032 1.505
A scaling factor of 0.9886 was used for the vibrational zero-point energy (VZPE).