![]() |
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 | -958.6396416 | -958.9456770 | 0.3060354 | 0.0000000 | 958.9456770 | ||||||
cm-1 | 3725.2 | 3303.4 | 421.7 | ||||||||
eV | -26085.911 | 0.462 | -26085.449 | -26094.239 | 0.410 | -26093.829 | 8.328 | 0.052 | 8.380 | 0.000 | 26094.239 |