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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 | -92.3893761 | -92.7296625 | 0.3402864 | 0.0000000 | 92.7296625 | ||||||
| cm-1 | 4439.4 | 5235.2 | -795.7 | ||||||||
| eV | -2514.043 | 0.550 | -2513.492 | -2523.302 | 0.649 | -2522.653 | 9.260 | -0.099 | 9.161 | 0.000 | 2523.302 |