![]() |
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 | -138.6806165 | -139.0026685 | 0.3220520 | 0.0000000 | 139.0026685 | ||||||
cm-1 | 5761.3 | 5294.1 | 467.2 | ||||||||
eV | -3773.691 | 0.714 | -3772.977 | -3782.455 | 0.656 | -3781.799 | 8.763 | 0.058 | 8.821 | 0.000 | 3782.455 |