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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 | -2237.3938711 | -2237.7533617 | 0.3594905 | 0.0000000 | 2237.7533617 | ||||||
| cm-1 | 4721.5 | 4755.2 | -33.6 | ||||||||
| eV | -60882.583 | 0.585 | -60881.998 | -60892.366 | 0.590 | -60891.776 | 9.782 | -0.004 | 9.778 | 0.000 | 60892.366 |