| |
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 | -405.4469423 | -405.7402104 | 0.2932681 | 0.0000000 | 405.7402104 | ||||||
| cm-1 | 165.4 | 275.5 | -110.2 | ||||||||
| eV | -11032.772 | 0.021 | -11032.752 | -11040.753 | 0.034 | -11040.718 | 7.980 | -0.014 | 7.967 | 0.000 | 11040.753 |