![]() |
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 | -895.3288268 | -895.6895574 | 0.3607307 | 0.0000000 | 895.6895574 | ||||||
cm-1 | 3586.5 | 3246.6 | 339.9 | ||||||||
eV | -24363.136 | 0.445 | -24362.692 | -24372.952 | 0.403 | -24372.550 | 9.816 | 0.042 | 9.858 | 0.000 | 24372.952 |