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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 | -227.3984773 | -227.7511951 | 0.3527178 | 0.0000000 | 227.7511951 | ||||||
| cm-1 | 7190.5 | 7717.3 | -526.8 | ||||||||
| eV | -6187.827 | 0.892 | -6186.936 | -6197.425 | 0.957 | -6196.468 | 9.598 | -0.065 | 9.533 | 0.000 | 6197.425 |