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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 | -2731.4421708 | -2731.7293884 | 0.2872175 | 0.0000000 | 2731.7293884 | ||||||
| cm-1 | 69.8 | 142.2 | -72.5 | ||||||||
| eV | -74326.321 | 0.009 | -74326.313 | -74334.137 | 0.018 | -74334.119 | 7.816 | -0.009 | 7.807 | 0.000 | 74334.137 |