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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 | -205.0236125 | -205.1070322 | 0.0834197 | ||||||
| cm-1 | 1915.5 | 1701.8 | 213.8 | ||||||
| eV | -5578.976 | 0.237 | -5578.739 | -5581.246 | 0.211 | -5581.035 | 2.270 | 0.027 | 2.296 |