![]() |
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 | 2Σ |
Neutral | Anion | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total |
Hartrees | -659.3053069 | -659.3427265 | 0.0374196 | ||||||
cm-1 | 223.4 | 152.4 | 71.0 | ||||||
eV | -17940.610 | 0.028 | -17940.582 | -17941.628 | 0.019 | -17941.609 | 1.018 | 0.009 | 1.027 |