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 | 1.609 | 0.177 |
O2 | Oxygen diatomic | rOO | 1.208 | 1.333 | 0.126 |
Cl2 | Chlorine diatomic | rClCl | 1.988 | 2.299 | 0.311 |