| |
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 | -278.0861612 | -278.5445049 | 0.4583437 | 0.0000000 | 278.5445049 | ||||||
| cm-1 | 2445.9 | 2217.2 | 228.6 | ||||||||
| eV | -7567.109 | 0.303 | -7566.806 | -7579.581 | 0.275 | -7579.307 | 12.472 | 0.028 | 12.501 | 0.000 | 7579.581 |