![]() |
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 | -957.7836310 | -958.0845853 | 0.3009543 | 0.0000000 | 958.0845853 | ||||||
cm-1 | 3727.8 | 3340.0 | 387.8 | ||||||||
eV | -26062.618 | 0.462 | -26062.156 | -26070.807 | 0.414 | -26070.393 | 8.189 | 0.048 | 8.237 | 0.000 | 26070.807 |