![]() |
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 | -92.4780693 | -92.6158887 | 0.1378194 | ||||||
cm-1 | 1364.4 | 936.2 | 428.2 | ||||||
eV | -2516.456 | 0.169 | -2516.287 | -2520.206 | 0.116 | -2520.090 | 3.750 | 0.053 | 3.803 |