![]() |
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 | -93.1961016 | -93.4405008 | 0.2443993 | 0.0000000 | 93.4405008 | ||||||
cm-1 | 6088.7 | 5408.9 | 679.7 | ||||||||
eV | -2535.995 | 0.755 | -2535.240 | -2542.645 | 0.671 | -2541.975 | 6.650 | 0.084 | 6.735 | 0.000 | 2542.645 |