![]() |
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 | -317.2101724 | -317.5893753 | 0.3792030 | 0.0000000 | 317.5893753 | ||||||
cm-1 | 481.2 | 453.3 | 27.9 | ||||||||
eV | -8631.728 | 0.060 | -8631.668 | -8642.046 | 0.056 | -8641.990 | 10.319 | 0.003 | 10.322 | 0.000 | 8642.046 |