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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 | -2140.9148711 | -2141.3044443 | 0.3895732 | 0.0000000 | 2141.3044443 | ||||||
| cm-1 | 446.4 | 481.2 | -34.9 | ||||||||
| eV | -58257.256 | 0.055 | -58257.201 | -58267.857 | 0.060 | -58267.798 | 10.601 | -0.004 | 10.597 | 0.000 | 58267.857 |