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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| 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 | -26.0485722 | -26.4832382 | 0.4346659 | 0.0000000 | 26.4832382 | ||||||
| cm-1 | 4451.8 | 5526.0 | -1074.3 | ||||||||
| eV | -708.818 | 0.552 | -708.266 | -720.646 | 0.685 | -719.960 | 11.828 | -0.133 | 11.695 | 0.000 | 720.646 |