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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 | -473.6025632 | -473.9524083 | 0.3498451 | 0.0000000 | 473.9524083 | ||||||
| cm-1 | 2658.3 | 2813.5 | -155.2 | ||||||||
| eV | -12887.381 | 0.330 | -12887.052 | -12896.901 | 0.349 | -12896.552 | 9.520 | -0.019 | 9.501 | 0.000 | 12896.901 |