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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 | -201.5099173 | -201.3332988 | -0.1766185 | ||||||
| cm-1 | 1968.4 | 1748.7 | 219.7 | ||||||
| eV | -5483.364 | 0.244 | -5483.120 | -5478.558 | 0.217 | -5478.341 | -4.806 | 0.027 | -4.779 |