![]() |
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 | -958.7844901 | -959.0772232 | 0.2927332 | 0.0000000 | 959.0772232 | ||||||
cm-1 | 3670.6 | 3288.3 | 382.3 | ||||||||
eV | -26089.853 | 0.455 | -26089.398 | -26097.818 | 0.408 | -26097.411 | 7.966 | 0.047 | 8.013 | 0.000 | 26097.818 |