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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 | -343.7268631 | -344.0995553 | 0.3726922 | 0.0000000 | 344.0995553 | ||||||
| cm-1 | 452.4 | 586.5 | -134.0 | ||||||||
| eV | -9353.284 | 0.056 | -9353.228 | -9363.425 | 0.073 | -9363.352 | 10.141 | -0.017 | 10.125 | 0.000 | 9363.425 |