![]() |
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 | -15.4236536 | -15.8523933 | 0.4287397 | 0.0000000 | 15.8523933 | ||||||
cm-1 | 1819.5 | 2747.4 | -927.8 | ||||||||
eV | -419.699 | 0.226 | -419.473 | -431.366 | 0.341 | -431.025 | 11.667 | -0.115 | 11.552 | 0.000 | 431.366 |