![]() |
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 | -289.5448362 | -289.8408039 | 0.2959677 | 0.0000000 | 289.8408039 | ||||||
cm-1 | 1010.5 | 963.6 | 46.9 | ||||||||
eV | -7878.916 | 0.125 | -7878.790 | -7886.969 | 0.119 | -7886.850 | 8.054 | 0.006 | 8.060 | 0.000 | 7886.969 |