![]() |
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 | -138.7950703 | -139.1312389 | 0.3361686 | 0.0000000 | 139.1312389 | ||||||
cm-1 | 5696.9 | 5171.3 | 525.6 | ||||||||
eV | -3776.806 | 0.706 | -3776.100 | -3785.954 | 0.641 | -3785.312 | 9.148 | 0.065 | 9.213 | 0.000 | 3785.954 |