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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 | -79.1527430 | -79.5865838 | 0.4338408 | 0.0000000 | 79.5865838 | ||||||
| cm-1 | 14517.8 | 15819.8 | -1302.0 | ||||||||
| eV | -2153.856 | 1.800 | -2152.056 | -2165.661 | 1.961 | -2163.700 | 11.805 | -0.161 | 11.644 | 0.000 | 2165.661 |