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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 | 2A1 |
| Neutral | Anion | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
| Hartrees | -205.0688826 | -205.1035943 | 0.0347117 | ||||||
| cm-1 | 1789.3 | 1585.8 | 203.5 | ||||||
| eV | -5580.208 | 0.222 | -5579.986 | -5581.153 | 0.197 | -5580.956 | 0.945 | 0.025 | 0.970 |