| |
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 | -131.4029218 | -131.7207476 | 0.3178258 | 0.0000000 | 131.7207476 | ||||||
| cm-1 | 8328.9 | 8471.1 | -142.2 | ||||||||
| eV | -3575.655 | 1.033 | -3574.623 | -3584.304 | 1.050 | -3583.254 | 8.648 | -0.018 | 8.631 | 0.000 | 3584.304 |