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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 | -259.5327004 | -259.7656135 | 0.2329131 | -259.5156836 | 0.2499299 | ||||||
| cm-1 | 77.3 | 275.5 | -198.2 | ||||||||
| eV | -7062.244 | 0.010 | -7062.234 | -7068.582 | 0.034 | -7068.548 | 6.338 | -0.025 | 6.313 | -7061.781 | 6.801 |