![]() |
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 | -3.3757603 | -3.7571826 | 0.3814223 | 0.0000000 | 3.7571826 | ||||||
cm-1 | 2878.4 | 3762.6 | -884.2 | ||||||||
eV | -91.859 | 0.357 | -91.502 | -102.238 | 0.466 | -101.772 | 10.379 | -0.110 | 10.269 | 0.000 | 102.238 |