![]() |
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 | -92.7662467 | -93.2624730 | 0.4962263 | 0.0000000 | 93.2624730 | ||||||
cm-1 | 3914.4 | 3352.5 | 561.9 | ||||||||
eV | -2524.298 | 0.485 | -2523.813 | -2537.801 | 0.416 | -2537.385 | 13.503 | 0.070 | 13.573 | 0.000 | 2537.801 |