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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 | -618.1837350 | -618.4885277 | 0.3047927 | 0.0000000 | 618.4885277 | ||||||
| cm-1 | 74.1 | 168.8 | -94.7 | ||||||||
| eV | -16821.635 | 0.009 | -16821.626 | -16829.929 | 0.021 | -16829.908 | 8.294 | -0.012 | 8.282 | 0.000 | 16829.929 |