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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 | -131.1224814 | -131.4460948 | 0.3236134 | 0.0000000 | 131.4460948 | ||||||
| cm-1 | 8449.2 | 8620.9 | -171.7 | ||||||||
| eV | -3568.024 | 1.048 | -3566.977 | -3576.830 | 1.069 | -3575.761 | 8.806 | -0.021 | 8.785 | 0.000 | 3576.830 |