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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 | -68.8998198 | -69.2188631 | 0.3190433 | 0.0000000 | 69.2188631 | ||||||
| cm-1 | 451.7 | 443.4 | 8.3 | ||||||||
| eV | -1874.859 | 0.056 | -1874.803 | -1883.541 | 0.055 | -1883.486 | 8.682 | 0.001 | 8.683 | 0.000 | 1883.541 |