![]() |
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 | -14.6647661 | -14.9353239 | 0.2705578 | 0.0000000 | 14.9353239 | ||||||
cm-1 | 1024.3 | 1043.6 | -19.4 | ||||||||
eV | -399.049 | 0.127 | -398.922 | -406.411 | 0.129 | -406.281 | 7.362 | -0.002 | 7.360 | 0.000 | 406.411 |