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return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Electron Affinity calculation details for (Nitrogen dioxide anion)

States and conformations

State Conformation minimum conformation conformer description state description
Energy calculated at PM3
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees                  
cm-1   2095.8     1962.3     133.5  
eV   0.260     0.243     0.017  
A scaling factor of 0.974 was used for the vibrational zero-point energy (VZPE).