![]() |
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 | -38.7710526 | -39.1510344 | 0.3799818 | 0.0000000 | 39.1510344 | ||||||
cm-1 | 3428.8 | 3624.6 | -195.8 | ||||||||
eV | -1055.014 | 0.425 | -1054.589 | -1065.354 | 0.449 | -1064.904 | 10.340 | -0.024 | 10.316 | 0.000 | 1065.354 |