![]() |
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 | -957.6448675 | -957.9434447 | 0.2985772 | 0.0000000 | 957.9434447 | ||||||
cm-1 | 3697.7 | 3343.4 | 354.3 | ||||||||
eV | -26058.842 | 0.458 | -26058.384 | -26066.967 | 0.415 | -26066.552 | 8.125 | 0.044 | 8.169 | 0.000 | 26066.967 |