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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 | -2862.9647994 | -2863.2294932 | 0.2646938 | 0.0000000 | 2863.2294932 | ||||||
| cm-1 | 263.7 | 206.0 | 57.7 | ||||||||
| eV | -77905.234 | 0.033 | -77905.201 | -77912.437 | 0.026 | -77912.411 | 7.203 | 0.007 | 7.210 | 0.000 | 77912.437 |