| |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
| 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 | -114.5027779 | -114.4885537 | -0.0142242 | ||||||
| cm-1 | 5618.8 | 5275.4 | 343.4 | ||||||
| eV | -3115.779 | 0.697 | -3115.082 | -3115.392 | 0.654 | -3114.738 | -0.387 | 0.043 | -0.344 |