![]() |
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 | -138.7521078 | -139.0800105 | 0.3279027 | 0.0000000 | 139.0800105 | ||||||
cm-1 | 5693.3 | 5199.6 | 493.7 | ||||||||
eV | -3775.637 | 0.706 | -3774.931 | -3784.560 | 0.645 | -3783.915 | 8.923 | 0.061 | 8.984 | 0.000 | 3784.560 |