| |
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 | -343.7429900 | -344.1142672 | 0.3712772 | 0.0000000 | 344.1142672 | ||||||
| cm-1 | 443.6 | 560.5 | -116.9 | ||||||||
| eV | -9353.722 | 0.055 | -9353.667 | -9363.825 | 0.069 | -9363.756 | 10.103 | -0.014 | 10.088 | 0.000 | 9363.825 |