![]() |
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 > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -5143.6635799 | -5144.0478174 | 0.3842375 | 0.0000000 | 5144.0478174 | ||||||
cm-1 | 188.8 | 164.1 | 24.7 | ||||||||
eV | -139966.204 | 0.023 | -139966.181 | -139976.660 | 0.020 | -139976.639 | 10.456 | 0.003 | 10.459 | 0.000 | 139976.660 |