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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 | -118.1702914 | -117.8637828 | -0.3065086 | 0.0000000 | 117.8637828 | ||||||
| cm-1 | 18656.8 | 16837.5 | 1819.2 | ||||||||
| eV | -3215.577 | 2.313 | -3213.264 | -3207.237 | 2.088 | -3205.149 | -8.341 | 0.226 | -8.115 | 0.000 | 3207.237 |