![]() |
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 | -953.9728822 | -954.2737390 | 0.3008568 | 0.0000000 | 954.2737390 | ||||||
cm-1 | 3892.1 | 3438.0 | 454.2 | ||||||||
eV | -25958.922 | 0.483 | -25958.440 | -25967.109 | 0.426 | -25966.683 | 8.187 | 0.056 | 8.243 | 0.000 | 25967.109 |