![]() |
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 | -129.7917097 | -130.1520197 | 0.3603100 | 0.0000000 | 130.1520197 | ||||||
cm-1 | 3001.0 | 3001.6 | -0.6 | ||||||||
eV | -3531.812 | 0.372 | -3531.440 | -3541.617 | 0.372 | -3541.244 | 9.805 | -0.000 | 9.804 | 0.000 | 3541.617 |