![]() |
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 | -15.3801583 | -15.7977299 | 0.4175716 | 0.0000000 | 15.7977299 | ||||||
cm-1 | 1791.3 | 2848.0 | -1056.7 | ||||||||
eV | -418.515 | 0.222 | -418.293 | -429.878 | 0.353 | -429.525 | 11.363 | -0.131 | 11.232 | 0.000 | 429.878 |