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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 | -90.9860065 | -91.4862489 | 0.5002424 | 0.0000000 | 91.4862489 | ||||||
| cm-1 | 861.3 | 966.2 | -104.9 | ||||||||
| eV | -2475.855 | 0.107 | -2475.748 | -2489.467 | 0.120 | -2489.348 | 13.612 | -0.013 | 13.599 | 0.000 | 2489.467 |