![]() |
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 | -894.5038308 | -894.8335225 | 0.3296917 | 0.0000000 | 894.8335225 | ||||||
cm-1 | 4107.0 | 3576.0 | 531.0 | ||||||||
eV | -24340.687 | 0.509 | -24340.178 | -24349.658 | 0.443 | -24349.215 | 8.971 | 0.066 | 9.037 | 0.000 | 24349.658 |