![]() |
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 | -14.6754552 | -14.8625521 | 0.1870970 | 0.0000000 | 14.8625521 | ||||||
cm-1 | 129.7 | 165.6 | -35.9 | ||||||||
eV | -399.339 | 0.016 | -399.323 | -404.431 | 0.021 | -404.410 | 5.091 | -0.004 | 5.087 | 0.000 | 404.431 |