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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 | -398.4970988 | -398.8618687 | 0.3647700 | 0.0000000 | 398.8618687 | ||||||
| cm-1 | 3100.5 | 3221.1 | -120.5 | ||||||||
| eV | -10843.658 | 0.384 | -10843.273 | -10853.583 | 0.399 | -10853.184 | 9.926 | -0.015 | 9.911 | 0.000 | 10853.583 |