![]() |
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 | -957.1663503 | -957.4734557 | 0.3071055 | 0.0000000 | 957.4734557 | ||||||
cm-1 | 3593.4 | 3255.5 | 338.0 | ||||||||
eV | -26045.821 | 0.446 | -26045.375 | -26054.178 | 0.404 | -26053.774 | 8.357 | 0.042 | 8.399 | 0.000 | 26054.178 |