![]() |
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 | -62.2380535 | -62.6514602 | 0.4134067 | 0.0000000 | 62.6514602 | ||||||
cm-1 | 517.6 | 586.5 | -68.9 | ||||||||
eV | -1693.584 | 0.064 | -1693.519 | -1704.833 | 0.073 | -1704.760 | 11.249 | -0.009 | 11.241 | 0.000 | 1704.833 |