| |
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 | -472.2499689 | -472.6164577 | 0.3664887 | 0.0000000 | 472.6164577 | ||||||
| cm-1 | 669.5 | 553.8 | 115.7 | ||||||||
| eV | -12850.575 | 0.083 | -12850.492 | -12860.548 | 0.069 | -12860.479 | 9.973 | 0.014 | 9.987 | 0.000 | 12860.548 |