![]() |
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 | -128.6827611 | -129.0644640 | 0.3817029 | 0.0000000 | 129.0644640 | ||||||
cm-1 | 2652.5 | 2570.8 | 81.7 | ||||||||
eV | -3501.636 | 0.329 | -3501.307 | -3512.023 | 0.319 | -3511.704 | 10.387 | 0.010 | 10.397 | 0.000 | 3512.023 |