![]() |
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 | -149.2101346 | -149.6599828 | 0.4498482 | 0.0000000 | 149.6599828 | ||||||
cm-1 | 1152.0 | 908.3 | 243.7 | ||||||||
eV | -4060.214 | 0.143 | -4060.071 | -4072.455 | 0.113 | -4072.343 | 12.241 | 0.030 | 12.271 | 0.000 | 4072.455 |