![]() |
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 | -15.4076022 | -15.8306688 | 0.4230665 | 0.0000000 | 15.8306688 | ||||||
cm-1 | 1677.9 | 2710.1 | -1032.2 | ||||||||
eV | -419.262 | 0.208 | -419.054 | -430.774 | 0.336 | -430.438 | 11.512 | -0.128 | 11.384 | 0.000 | 430.774 |