![]() |
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 | -341.6318074 | -341.9789647 | 0.3471573 | 0.0000000 | 341.9789647 | ||||||
cm-1 | 2907.3 | 2863.1 | 44.2 | ||||||||
eV | -9296.274 | 0.360 | -9295.914 | -9305.721 | 0.355 | -9305.366 | 9.447 | 0.005 | 9.452 | 0.000 | 9305.721 |