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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 | -15.5787256 | -15.8977030 | 0.3189774 | 0.0000000 | 15.8977030 | ||||||
| cm-1 | 474.2 | 402.9 | 71.3 | ||||||||
| eV | -423.919 | 0.059 | -423.860 | -432.598 | 0.050 | -432.549 | 8.680 | 0.009 | 8.689 | 0.000 | 432.598 |