![]() |
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 | -5147.0938842 | -5147.4729610 | 0.3790768 | 0.0000000 | 5147.4729610 | ||||||
cm-1 | 171.8 | 152.5 | 19.3 | ||||||||
eV | -140059.547 | 0.021 | -140059.526 | -140069.863 | 0.019 | -140069.844 | 10.315 | 0.002 | 10.318 | 0.000 | 140069.863 |