![]() |
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 | -893.3034490 | -893.7573145 | 0.4538655 | 0.0000000 | 893.7573145 | ||||||
cm-1 | 2860.2 | 2412.0 | 448.1 | ||||||||
eV | -24308.023 | 0.355 | -24307.668 | -24320.373 | 0.299 | -24320.074 | 12.350 | 0.056 | 12.406 | 0.000 | 24320.373 |