![]() |
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 | -299.0615412 | -299.3452834 | 0.2837422 | 0.0000000 | 299.3452834 | ||||||
cm-1 | 394.1 | 348.5 | 45.6 | ||||||||
eV | -8137.878 | 0.049 | -8137.830 | -8145.599 | 0.043 | -8145.556 | 7.721 | 0.006 | 7.727 | 0.000 | 8145.599 |