![]() |
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 | C*V | 1Σ |
Neutral | Anion | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -2571.9215459 | -2571.9318636 | 0.0103177 | ||||||
cm-1 | 1264.3 | 173.7 | 1090.5 | ||||||
eV | -69985.544 | 0.157 | -69985.388 | -69985.825 | 0.022 | -69985.804 | 0.281 | 0.135 | 0.416 |