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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 | -106.4365606 | -106.8887605 | 0.4521999 | 0.0000000 | 106.8887605 | ||||||
| cm-1 | 140.6 | 442.7 | -302.1 | ||||||||
| eV | -2896.286 | 0.017 | -2896.269 | -2908.591 | 0.055 | -2908.536 | 12.305 | -0.037 | 12.268 | 0.000 | 2908.591 |