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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 | -204.9949121 | -205.0427669 | 0.0478548 | ||||||
| cm-1 | 1898.1 | 1717.5 | 180.6 | ||||||
| eV | -5578.195 | 0.235 | -5577.960 | -5579.497 | 0.213 | -5579.284 | 1.302 | 0.022 | 1.325 |