![]() |
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 | -15.4867357 | -15.9080286 | 0.4212929 | 0.0000000 | 15.9080286 | ||||||
cm-1 | 1853.5 | 2711.9 | -858.4 | ||||||||
eV | -421.416 | 0.230 | -421.186 | -432.879 | 0.336 | -432.543 | 11.464 | -0.106 | 11.358 | 0.000 | 432.879 |