![]() |
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 | -94.0156041 | -94.3705214 | 0.3549173 | 0.0000000 | 94.3705214 | ||||||
cm-1 | 7750.1 | 8453.0 | -702.9 | ||||||||
eV | -2558.295 | 0.961 | -2557.334 | -2567.952 | 1.048 | -2566.904 | 9.658 | -0.087 | 9.571 | 0.000 | 2567.952 |