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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: Calculated > Geometry > Bad Calculations > Bad Calculated Bond Lengths OR Resources > Bad Calculations > Geometry > Bad Calculated Bond Lengths |
Species | Name | Bond type | Bond Length (Å) | ||
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Experimental | Calculated | Difference | |||
SO2 | Sulfur dioxide | rSO | 1.432 | 1.606 | 0.174 |
Cl2 | Chlorine diatomic | rClCl | 1.988 | 2.269 | 0.281 |
IBr | Iodine monobromide | rBrI | 2.469 | 2.724 | 0.255 |
ICl | Iodine monochloride | rClI | 2.321 | 2.542 | 0.222 |
BF | Boron monofluoride | rBF | 1.267 | 1.371 | 0.104 |
Na2 | Sodium diatomic | rNaNa | 3.079 | 3.318 | 0.239 |