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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 | C*V | 1Σ+ |
| Neutral | Anion | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
| Hartrees | -114.0439556 | -114.1528396 | 0.1088840 | ||||||
| cm-1 | 358.8 | 60.3 | 298.5 | ||||||
| eV | -3103.294 | 0.044 | -3103.249 | -3106.257 | 0.007 | -3106.249 | 2.963 | 0.037 | 3.000 |