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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 | -205.0831151 | -205.1614959 | 0.0783808 | ||||||
| cm-1 | 1783.9 | 1561.6 | 222.3 | ||||||
| eV | -5580.595 | 0.221 | -5580.374 | -5582.728 | 0.194 | -5582.535 | 2.133 | 0.028 | 2.160 |