![]() |
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 | -91.8866880 | -92.3168068 | 0.4301188 | 0.0000000 | 92.3168068 | ||||||
cm-1 | 1169.9 | 1179.7 | -9.8 | ||||||||
eV | -2500.364 | 0.145 | -2500.219 | -2512.068 | 0.146 | -2511.922 | 11.704 | -0.001 | 11.703 | 0.000 | 2512.068 |