![]() |
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 | -594.0946073 | -594.2683610 | 0.1737537 | 0.0000000 | 594.2683610 | ||||||
cm-1 | 312.1 | 642.6 | -330.5 | ||||||||
eV | -16166.136 | 0.039 | -16166.098 | -16170.864 | 0.080 | -16170.785 | 4.728 | -0.041 | 4.687 | 0.000 | 16170.864 |