![]() |
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 | -896.8748675 | -897.2390153 | 0.3641478 | -896.8099571 | 0.4290582 | ||||||
cm-1 | 3630.7 | 3085.7 | 545.0 | ||||||||
eV | -24405.206 | 0.450 | -24404.756 | -24415.115 | 0.383 | -24414.733 | 9.909 | 0.068 | 9.977 | -24403.440 | 11.675 |