![]() |
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 | -896.8672598 | -897.2557897 | 0.3885299 | 0.0000000 | 897.2557897 | ||||||
cm-1 | 3371.4 | 2712.9 | 658.5 | ||||||||
eV | -24404.999 | 0.418 | -24404.581 | -24415.572 | 0.336 | -24415.235 | 10.572 | 0.082 | 10.654 | 0.000 | 24415.572 |