![]() |
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 | -958.7324320 | -959.0400285 | 0.3075965 | 0.0000000 | 959.0400285 | ||||||
cm-1 | 3705.1 | 3314.7 | 390.4 | ||||||||
eV | -26088.436 | 0.459 | -26087.977 | -26096.806 | 0.411 | -26096.395 | 8.370 | 0.048 | 8.419 | 0.000 | 26096.806 |