![]() |
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 | -957.7163358 | -958.0198181 | 0.3034823 | 0.0000000 | 958.0198181 | ||||||
cm-1 | 3719.2 | 3378.8 | 340.4 | ||||||||
eV | -26060.787 | 0.461 | -26060.326 | -26069.045 | 0.419 | -26068.626 | 8.258 | 0.042 | 8.300 | 0.000 | 26069.045 |