![]() |
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 | -76.5776214 | -76.9792715 | 0.4016502 | 0.0000000 | 76.9792715 | ||||||
cm-1 | 5237.8 | 5295.8 | -57.9 | ||||||||
eV | -2083.783 | 0.649 | -2083.134 | -2094.713 | 0.657 | -2094.056 | 10.929 | -0.007 | 10.922 | 0.000 | 2094.713 |