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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 | -416.1704564 | -416.4748848 | 0.3044284 | 0.0000000 | 416.4748848 | ||||||
| cm-1 | 668.0 | 572.4 | 95.6 | ||||||||
| eV | -11324.574 | 0.083 | -11324.491 | -11332.858 | 0.071 | -11332.787 | 8.284 | 0.012 | 8.296 | 0.000 | 11332.858 |