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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 | D*H | 1Σg |
| Neutral | Anion | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
| Hartrees | -199.1933327 | -199.2639724 | 0.0706397 | ||||||
| cm-1 | 435.4 | 230.1 | 205.3 | ||||||
| eV | -5420.326 | 0.054 | -5420.272 | -5422.248 | 0.029 | -5422.220 | 1.922 | 0.025 | 1.948 |