![]() |
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 | -2141.0009608 | -2141.3879361 | 0.3869753 | 0.0000000 | 2141.3879361 | ||||||
cm-1 | 454.6 | 494.4 | -39.8 | ||||||||
eV | -58259.599 | 0.056 | -58259.543 | -58270.129 | 0.061 | -58270.068 | 10.530 | -0.005 | 10.525 | 0.000 | 58270.129 |