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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 | -412.5396673 | -412.8693328 | 0.3296655 | 0.0000000 | 412.8693328 | ||||||
| cm-1 | 418.1 | 494.0 | -75.9 | ||||||||
| eV | -11225.775 | 0.052 | -11225.723 | -11234.746 | 0.061 | -11234.685 | 8.971 | -0.009 | 8.961 | 0.000 | 11234.746 |