![]() |
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 | -5147.9159771 | -5148.3058494 | 0.3898724 | 0.0000000 | 5148.3058494 | ||||||
cm-1 | 175.9 | 154.4 | 21.5 | ||||||||
eV | -140081.918 | 0.022 | -140081.896 | -140092.527 | 0.019 | -140092.508 | 10.609 | 0.003 | 10.612 | 0.000 | 140092.527 |