![]() |
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 | -2226.9302036 | -2227.2863019 | 0.3560984 | 0.0000000 | 2227.2863019 | ||||||
cm-1 | 4555.1 | 4642.0 | -87.0 | ||||||||
eV | -60597.853 | 0.565 | -60597.288 | -60607.543 | 0.576 | -60606.967 | 9.690 | -0.011 | 9.679 | 0.000 | 60607.543 |