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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 | -540.7116486 | -541.0435885 | 0.3319399 | 0.0000000 | 541.0435885 | ||||||
| cm-1 | 1175.4 | 984.9 | 190.5 | ||||||||
| eV | -14713.512 | 0.146 | -14713.366 | -14722.545 | 0.122 | -14722.423 | 9.033 | 0.024 | 9.056 | 0.000 | 14722.545 |