![]() |
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 | -93.9866234 | -94.3363152 | 0.3496918 | 0.0000000 | 94.3363152 | ||||||
cm-1 | 7720.4 | 8326.0 | -605.6 | ||||||||
eV | -2557.506 | 0.957 | -2556.549 | -2567.022 | 1.032 | -2565.989 | 9.516 | -0.075 | 9.441 | 0.000 | 2567.022 |