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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 | 1A1 |
| Neutral | Anion | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
| Hartrees | -114.3895210 | -114.3171295 | -0.0723915 | ||||||
| cm-1 | 5640.0 | 4872.6 | 767.4 | ||||||
| eV | -3112.697 | 0.699 | -3111.998 | -3110.727 | 0.604 | -3110.123 | -1.970 | 0.095 | -1.875 |