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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 | -677.1505782 | -677.3512026 | 0.2006244 | 0.0000000 | 677.3512026 | ||||||
| cm-1 | 704.1 | 609.9 | 94.1 | ||||||||
| eV | -18426.204 | 0.087 | -18426.117 | -18431.664 | 0.076 | -18431.588 | 5.459 | 0.012 | 5.471 | 0.000 | 18431.664 |