![]() |
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 | -896.5727551 | -897.0221329 | 0.4493778 | 0.0000000 | 897.0221329 | ||||||
cm-1 | 2775.1 | 2322.3 | 452.8 | ||||||||
eV | -24396.985 | 0.344 | -24396.641 | -24409.214 | 0.288 | -24408.926 | 12.228 | 0.056 | 12.284 | 0.000 | 24409.214 |