![]() |
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 | -93.8627394 | -94.2017654 | 0.3390259 | 0.0000000 | 94.2017654 | ||||||
cm-1 | 8016.4 | 8411.9 | -395.5 | ||||||||
eV | -2554.135 | 0.994 | -2553.141 | -2563.360 | 1.043 | -2562.317 | 9.225 | -0.049 | 9.176 | 0.000 | 2563.360 |