![]() |
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 | -138.7416525 | -139.0656229 | 0.3239705 | 0.0000000 | 139.0656229 | ||||||
cm-1 | 5750.8 | 5265.5 | 485.3 | ||||||||
eV | -3775.352 | 0.713 | -3774.639 | -3784.168 | 0.653 | -3783.515 | 8.816 | 0.060 | 8.876 | 0.000 | 3784.168 |