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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 | -76.8708220 | -77.2903520 | 0.4195300 | 0.0000000 | 77.2903520 | ||||||
| cm-1 | 5748.3 | 5891.9 | -143.6 | ||||||||
| eV | -2091.761 | 0.713 | -2091.049 | -2103.177 | 0.731 | -2102.447 | 11.416 | -0.018 | 11.398 | 0.000 | 2103.177 |