Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name | Bond type | Bond Length (Å) | ||
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Experimental | Calculated | Difference | |||
SO2 | Sulfur dioxide | rSO | 1.432 | 1.578 | 0.146 |
Cl2 | Chlorine diatomic | rClCl | 1.988 | 2.202 | 0.215 |
IBr | Iodine monobromide | rBrI | 2.469 | 2.619 | 0.150 |
ICl | Iodine monochloride | rClI | 2.321 | 2.490 | 0.169 |