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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 | -92.1597159 | -92.7117474 | 0.5520315 | 0.0000000 | 92.7117474 | ||||||
| cm-1 | 1001.5 | 1034.7 | -33.2 | ||||||||
| eV | -2507.793 | 0.124 | -2507.669 | -2522.815 | 0.128 | -2522.687 | 15.022 | -0.004 | 15.017 | 0.000 | 2522.815 |