![]() |
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 | -75.3524647 | -75.7668484 | 0.4143837 | 0.0000000 | 75.7668484 | ||||||
cm-1 | 660.1 | 901.5 | -241.4 | ||||||||
eV | -2050.445 | 0.082 | -2050.363 | -2061.721 | 0.112 | -2061.609 | 11.276 | -0.030 | 11.246 | 0.000 | 2061.721 |