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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 | -2176.6218198 | -2176.8896782 | 0.2678583 | 0.0000000 | 2176.8896782 | ||||||
| cm-1 | 364.7 | 306.1 | 58.5 | ||||||||
| eV | -59228.892 | 0.045 | -59228.847 | -59236.181 | 0.038 | -59236.143 | 7.289 | 0.007 | 7.296 | 0.000 | 59236.181 |