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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 | -5139.6515504 | -5140.0368482 | 0.3852978 | 0.0000000 | 5140.0368482 | ||||||
| cm-1 | 175.6 | 153.2 | 22.3 | ||||||||
| eV | -139857.031 | 0.022 | -139857.009 | -139867.516 | 0.019 | -139867.497 | 10.484 | 0.003 | 10.487 | 0.000 | 139867.516 |