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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 | -41.2097720 | -41.2786271 | 0.0688551 | ||||||
| cm-1 | 2167.0 | 1620.2 | 546.9 | ||||||
| eV | -1121.375 | 0.269 | -1121.106 | -1123.249 | 0.201 | -1123.048 | 1.874 | 0.068 | 1.941 |