![]() |
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 | -5143.3801767 | -5143.7485746 | 0.3683979 | 0.0000000 | 5143.7485746 | ||||||
cm-1 | 171.9 | 152.0 | 19.9 | ||||||||
eV | -139958.492 | 0.021 | -139958.471 | -139968.517 | 0.019 | -139968.498 | 10.025 | 0.002 | 10.027 | 0.000 | 139968.517 |