![]() |
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 | -75.9192670 | -76.3820390 | 0.4627720 | 0.0000000 | 76.3820390 | ||||||
cm-1 | 4414.4 | 5043.3 | -628.9 | ||||||||
eV | -2065.868 | 0.547 | -2065.321 | -2078.461 | 0.625 | -2077.836 | 12.593 | -0.078 | 12.515 | 0.000 | 2078.461 |