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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 | C3 | 2A1 |
| Neutral | Anion | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
| Hartrees | -1416.7576135 | -1416.8148870 | 0.0572735 | ||||||
| cm-1 | 1588.2 | 1176.4 | 411.8 | ||||||
| eV | -38551.935 | 0.197 | -38551.738 | -38553.494 | 0.146 | -38553.348 | 1.558 | 0.051 | 1.610 |