![]() |
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 | -958.7088843 | -959.0180478 | 0.3091635 | 0.0000000 | 959.0180478 | ||||||
cm-1 | 3919.1 | 3452.7 | 466.5 | ||||||||
eV | -26087.795 | 0.486 | -26087.310 | -26096.208 | 0.428 | -26095.780 | 8.413 | 0.058 | 8.471 | 0.000 | 26096.208 |