![]() |
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 | -169.9696337 | -170.3561340 | 0.3865003 | 0.0000000 | 170.3561340 | ||||||
cm-1 | 10314.0 | 10623.6 | -309.7 | ||||||||
eV | -4625.109 | 1.279 | -4623.830 | -4635.626 | 1.317 | -4634.309 | 10.517 | -0.038 | 10.479 | 0.000 | 4635.626 |