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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 | -92.1661683 | -92.7194605 | 0.5532922 | 0.0000000 | 92.7194605 | ||||||
| cm-1 | 1005.9 | 1041.6 | -35.7 | ||||||||
| eV | -2507.969 | 0.125 | -2507.844 | -2523.025 | 0.129 | -2522.896 | 15.056 | -0.004 | 15.051 | 0.000 | 2523.025 |