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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 | 1.603 | 0.171 |
SOCl2 | thionyl chloride | rSCl | 2.076 | 2.254 | 0.178 |
Cl2 | Chlorine diatomic | rClCl | 1.988 | 2.129 | 0.141 |
HN3 | hydrogen azide | rNH | 0.975 | 1.082 | 0.107 |
SF4 | Sulfur tetrafluoride | rSF | 1.545 | 1.738 | 0.193 |
Na2 | Sodium diatomic | rNaNa | 3.079 | 2.379 | -0.700 |