![]() |
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 | -138.6306893 | -138.9603466 | 0.3296574 | 0.0000000 | 138.9603466 | ||||||
cm-1 | 5713.5 | 5247.8 | 465.7 | ||||||||
eV | -3772.333 | 0.708 | -3771.625 | -3781.303 | 0.651 | -3780.653 | 8.970 | 0.058 | 9.028 | 0.000 | 3781.303 |