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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 | -110.2420605 | -110.5980246 | 0.3559641 | 0.0000000 | 110.5980246 | ||||||
| cm-1 | 5536.9 | 6075.4 | -538.6 | ||||||||
| eV | -2999.839 | 0.686 | -2999.153 | -3009.525 | 0.753 | -3008.772 | 9.686 | -0.067 | 9.620 | 0.000 | 3009.525 |