![]() |
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 | -958.3556700 | -958.6637043 | 0.3080342 | 0.0000000 | 958.6637043 | ||||||
cm-1 | 3735.2 | 3333.5 | 401.7 | ||||||||
eV | -26078.184 | 0.463 | -26077.721 | -26086.566 | 0.413 | -26086.153 | 8.382 | 0.050 | 8.432 | 0.000 | 26086.566 |