![]() |
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 | -242.8337297 | -243.0828661 | 0.2491364 | 0.0000000 | 243.0828661 | ||||||
cm-1 | 2524.4 | 2151.4 | 373.1 | ||||||||
eV | -6607.842 | 0.313 | -6607.529 | -6614.621 | 0.267 | -6614.354 | 6.779 | 0.046 | 6.826 | 0.000 | 6614.621 |