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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 | -188.3182065 | -188.6075694 | 0.2893629 | 0.0000000 | 188.6075694 | ||||||
| cm-1 | 6784.4 | 6537.6 | 246.8 | ||||||||
| eV | -5124.399 | 0.841 | -5123.558 | -5132.273 | 0.811 | -5131.462 | 7.874 | 0.031 | 7.905 | 0.000 | 5132.273 |