![]() |
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 | -5147.8809909 | -5148.2714722 | 0.3904813 | 0.0000000 | 5148.2714722 | ||||||
cm-1 | 182.4 | 160.6 | 21.8 | ||||||||
eV | -140080.966 | 0.023 | -140080.943 | -140091.591 | 0.020 | -140091.571 | 10.626 | 0.003 | 10.628 | 0.000 | 140091.591 |