![]() |
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 | -5123.4269545 | -5123.8031365 | 0.3761820 | 0.0000000 | 5123.8031365 | ||||||
cm-1 | 187.5 | 167.6 | 19.9 | ||||||||
eV | -139415.538 | 0.023 | -139415.514 | -139425.774 | 0.021 | -139425.753 | 10.236 | 0.002 | 10.239 | 0.000 | 139425.774 |