![]() |
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 | -297.9030429 | -298.1765325 | 0.2734896 | 0.0000000 | 298.1765325 | ||||||
cm-1 | 379.1 | 336.1 | 43.0 | ||||||||
eV | -8106.354 | 0.047 | -8106.307 | -8113.796 | 0.042 | -8113.754 | 7.442 | 0.005 | 7.447 | 0.000 | 8113.796 |