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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 | -129.3525434 | -129.6903356 | 0.3377922 | 0.0000000 | 129.6903356 | ||||||
| cm-1 | 1321.6 | 1281.1 | 40.5 | ||||||||
| eV | -3519.862 | 0.164 | -3519.698 | -3529.054 | 0.159 | -3528.895 | 9.192 | 0.005 | 9.197 | 0.000 | 3529.054 |