![]() |
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 | -113.6059533 | -113.9430526 | 0.3370993 | 0.0000000 | 113.9430526 | ||||||
cm-1 | 712.9 | 650.3 | 62.6 | ||||||||
eV | -3091.375 | 0.088 | -3091.287 | -3100.548 | 0.081 | -3100.468 | 9.173 | 0.008 | 9.181 | 0.000 | 3100.548 |