![]() |
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 | -128.6870039 | -129.0382903 | 0.3512864 | -128.6800741 | 0.3582162 | ||||||
cm-1 | 2473.1 | 2955.6 | -482.5 | ||||||||
eV | -3501.751 | 0.307 | -3501.445 | -3511.310 | 0.366 | -3510.944 | 9.559 | -0.060 | 9.499 | -3501.563 | 9.748 |