![]() |
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 | -5144.7031248 | -5145.0894580 | 0.3863332 | 0.0000000 | 5145.0894580 | ||||||
cm-1 | 167.6 | 147.6 | 19.9 | ||||||||
eV | -139994.492 | 0.021 | -139994.471 | -140005.004 | 0.018 | -140004.986 | 10.513 | 0.002 | 10.515 | 0.000 | 140005.004 |