![]() |
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 | -341.6160147 | -341.9636133 | 0.3475986 | 0.0000000 | 341.9636133 | ||||||
cm-1 | 2901.3 | 2844.9 | 56.5 | ||||||||
eV | -9295.845 | 0.360 | -9295.485 | -9305.303 | 0.353 | -9304.950 | 9.459 | 0.007 | 9.466 | 0.000 | 9305.303 |