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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 | -534.1390750 | -534.5186484 | 0.3795734 | 0.0000000 | 534.5186484 | ||||||
| cm-1 | 651.2 | 399.4 | 251.7 | ||||||||
| eV | -14534.663 | 0.081 | -14534.583 | -14544.992 | 0.050 | -14544.943 | 10.329 | 0.031 | 10.360 | 0.000 | 14544.992 |