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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 | -2660.1482843 | -2660.4257246 | 0.2774402 | 0.0000000 | 2660.4257246 | ||||||
| cm-1 | 275.6 | 296.3 | -20.7 | ||||||||
| eV | -72386.316 | 0.034 | -72386.282 | -72393.866 | 0.037 | -72393.829 | 7.550 | -0.003 | 7.547 | 0.000 | 72393.866 |