![]() |
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 | -93.1054678 | -93.3915438 | 0.2860760 | -93.0993008 | 0.2922430 | ||||||
cm-1 | 5445.1 | 5678.9 | -233.8 | ||||||||
eV | -2533.529 | 0.675 | -2532.854 | -2541.313 | 0.704 | -2540.609 | 7.785 | -0.029 | 7.756 | -2533.361 | 7.952 |