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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 | -77.5481324 | -77.8563679 | 0.3082355 | 0.0000000 | 77.8563679 | ||||||
| cm-1 | 7287.6 | 7704.2 | -416.6 | ||||||||
| eV | -2110.192 | 0.904 | -2109.288 | -2118.580 | 0.955 | -2117.624 | 8.388 | -0.052 | 8.336 | 0.000 | 2118.580 |