| |
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 | -320.1494671 | -320.0620599 | -0.0874071 | 0.0000000 | 320.0620599 | ||||||
| cm-1 | 172.3 | 215.4 | -43.1 | ||||||||
| eV | -8711.710 | 0.021 | -8711.689 | -8709.332 | 0.027 | -8709.305 | -2.378 | -0.005 | -2.384 | 0.000 | 8709.332 |