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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 | -312.2727842 | -312.7333207 | 0.4605364 | 0.0000000 | 312.7333207 | ||||||
| cm-1 | 2912.6 | 3012.2 | -99.6 | ||||||||
| eV | -8497.375 | 0.361 | -8497.013 | -8509.906 | 0.373 | -8509.533 | 12.532 | -0.012 | 12.519 | 0.000 | 8509.906 |