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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 | -92.1439188 | -92.7041076 | 0.5601888 | 0.0000000 | 92.7041076 | ||||||
| cm-1 | 1013.2 | 1045.2 | -32.0 | ||||||||
| eV | -2507.364 | 0.126 | -2507.238 | -2522.607 | 0.130 | -2522.477 | 15.244 | -0.004 | 15.240 | 0.000 | 2522.607 |