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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Electron Affinity > Calculated Electron affinity OR Calculated > Energy > Ion > Calculated Electron affinity | |
| State | Conformation | minimum conformation | conformer description | state description |
|---|---|---|---|---|
| 1 | 1 | yes | C2V | 1A1 |
| Neutral | Anion | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
| Hartrees | -114.4874472 | -114.4492296 | -0.0382176 | ||||||
| cm-1 | 5588.1 | 4789.3 | 798.8 | ||||||
| eV | -3115.362 | 0.693 | -3114.669 | -3114.322 | 0.594 | -3113.728 | -1.040 | 0.099 | -0.941 |