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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 | -534.9772602 | -535.3736281 | 0.3963679 | 0.0000000 | 535.3736281 | ||||||
| cm-1 | 537.2 | 428.1 | 109.1 | ||||||||
| eV | -14557.472 | 0.067 | -14557.405 | -14568.257 | 0.053 | -14568.204 | 10.786 | 0.014 | 10.799 | 0.000 | 14568.257 |