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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 | -416.7653764 | -417.1345137 | 0.3691373 | 0.0000000 | 417.1345137 | ||||||
| cm-1 | 1820.7 | 2037.0 | -216.4 | ||||||||
| eV | -11340.763 | 0.226 | -11340.537 | -11350.807 | 0.253 | -11350.555 | 10.045 | -0.027 | 10.018 | 0.000 | 11350.807 |