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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 | -92.9241918 | -93.3654229 | 0.4412311 | 0.0000000 | 93.3654229 | ||||||
| cm-1 | 3330.7 | 3286.0 | 44.7 | ||||||||
| eV | -2528.596 | 0.413 | -2528.183 | -2540.602 | 0.407 | -2540.195 | 12.007 | 0.006 | 12.012 | 0.000 | 2540.602 |