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Electron Affinity calculation details for HBr (hydrogen bromide)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C*V 1Σ
Energy calculated at LSDA/aug-cc-pVDZ
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -2571.9215459     -2571.9318636     0.0103177    
cm-1   1264.3     173.7     1090.5  
eV -69985.544 0.157 -69985.388 -69985.825 0.022 -69985.804 0.281 0.135 0.416
A scaling factor of 0.9887 was used for the vibrational zero-point energy (VZPE).