| |
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 | -68.0459874 | -68.3264848 | 0.2804974 | 0.0000000 | 68.3264848 | ||||||
| cm-1 | 325.0 | 398.1 | -73.1 | ||||||||
| eV | -1851.625 | 0.040 | -1851.585 | -1859.258 | 0.049 | -1859.209 | 7.633 | -0.009 | 7.624 | 0.000 | 1859.258 |