![]() |
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 | -243.2639565 | -243.6162554 | 0.3522989 | -243.2217024 | 0.3945530 | ||||||
cm-1 | 2733.6 | 3837.8 | -1104.3 | ||||||||
eV | -6619.549 | 0.339 | -6619.210 | -6629.135 | 0.476 | -6628.660 | 9.587 | -0.137 | 9.450 | -6618.399 | 10.736 |