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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 | -26.0496124 | -26.4847950 | 0.4351826 | 0.0000000 | 26.4847950 | ||||||
| cm-1 | 4615.8 | 5579.9 | -964.1 | ||||||||
| eV | -708.846 | 0.572 | -708.274 | -720.688 | 0.692 | -719.996 | 11.842 | -0.120 | 11.722 | 0.000 | 720.688 |