| |
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 | CS | 2A" |
| Neutral | Anion | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
| Hartrees | -150.5304657 | -150.5588348 | 0.0283690 | ||||||
| cm-1 | 3023.0 | 2800.9 | 222.1 | ||||||
| eV | -4096.142 | 0.375 | -4095.767 | -4096.914 | 0.347 | -4096.567 | 0.772 | 0.028 | 0.800 |