![]() |
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 | -138.5891971 | -138.9175207 | 0.3283237 | 0.0000000 | 138.9175207 | ||||||
cm-1 | 5724.5 | 5247.8 | 476.8 | ||||||||
eV | -3771.204 | 0.710 | -3770.494 | -3780.138 | 0.651 | -3779.487 | 8.934 | 0.059 | 8.993 | 0.000 | 3780.138 |