![]() |
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 | -290.4751300 | -290.7723130 | 0.2971830 | 0.0000000 | 290.7723130 | ||||||
cm-1 | 5288.9 | 5017.7 | 271.3 | ||||||||
eV | -7904.230 | 0.656 | -7903.575 | -7912.317 | 0.622 | -7911.695 | 8.087 | 0.034 | 8.120 | 0.000 | 7912.317 |