![]() |
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 | -39.4866853 | -39.8484699 | 0.3617846 | 0.0000000 | 39.8484699 | ||||||
cm-1 | 6654.5 | 6267.1 | 387.4 | ||||||||
eV | -1074.487 | 0.825 | -1073.662 | -1084.332 | 0.777 | -1083.555 | 9.845 | 0.048 | 9.893 | 0.000 | 1084.332 |