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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 | -618.0571439 | -618.3400456 | 0.2829017 | 0.0000000 | 618.3400456 | ||||||
| cm-1 | 62.1 | 157.7 | -95.6 | ||||||||
| eV | -16818.190 | 0.008 | -16818.182 | -16825.888 | 0.020 | -16825.869 | 7.698 | -0.012 | 7.686 | 0.000 | 16825.888 |