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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 | -200.3823296 | -200.6445137 | 0.2621841 | 0.0000000 | 200.6445137 | ||||||
| cm-1 | 792.4 | 689.3 | 103.1 | ||||||||
| eV | -5452.680 | 0.098 | -5452.582 | -5459.815 | 0.085 | -5459.729 | 7.134 | 0.013 | 7.147 | 0.000 | 5459.815 |