![]() |
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 | -242.4753616 | -242.7538102 | 0.2784486 | 0.0000000 | 242.7538102 | ||||||
cm-1 | 2483.2 | 2119.4 | 363.8 | ||||||||
eV | -6598.090 | 0.308 | -6597.782 | -6605.667 | 0.263 | -6605.404 | 7.577 | 0.045 | 7.622 | 0.000 | 6605.667 |