![]() |
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 | -958.3761689 | -958.6730747 | 0.2969058 | 0.0000000 | 958.6730747 | ||||||
cm-1 | 3915.0 | 3531.5 | 383.5 | ||||||||
eV | -26078.742 | 0.485 | -26078.256 | -26086.821 | 0.438 | -26086.383 | 8.079 | 0.048 | 8.127 | 0.000 | 26086.821 |