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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 | -107.0089905 | -107.3999152 | 0.3909247 | 0.0000000 | 107.3999152 | ||||||
| cm-1 | 119.4 | 452.0 | -332.6 | ||||||||
| eV | -2911.863 | 0.015 | -2911.848 | -2922.500 | 0.056 | -2922.444 | 10.638 | -0.041 | 10.596 | 0.000 | 2922.500 |