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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 | -556.7859770 | -557.2532740 | 0.4672970 | 0.0000000 | 557.2532740 | ||||||
| cm-1 | 443.6 | 397.8 | 45.8 | ||||||||
| eV | -15150.917 | 0.055 | -15150.862 | -15163.633 | 0.049 | -15163.583 | 12.716 | 0.006 | 12.721 | 0.000 | 15163.633 |