![]() |
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 | -437.1471206 | -437.4843985 | 0.3372779 | 0.0000000 | 437.4843985 | ||||||
cm-1 | 5013.2 | 5221.8 | -208.5 | ||||||||
eV | -11895.378 | 0.622 | -11894.757 | -11904.556 | 0.647 | -11903.908 | 9.178 | -0.026 | 9.152 | 0.000 | 11904.556 |