![]() |
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 | -5092.1694179 | -5092.8044960 | 0.6350781 | 0.0000000 | 5092.8044960 | ||||||
cm-1 | 178.8 | 204.2 | -25.4 | ||||||||
eV | -138564.977 | 0.022 | -138564.955 | -138582.258 | 0.025 | -138582.233 | 17.281 | -0.003 | 17.278 | 0.000 | 138582.258 |