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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: Comparisons > Geometry > Bonds, angles > Core correlation - bond length |
Species | Name | Level |
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C(CH3)3SH | 2-Propanethiol, 2-methyl- | HF/6-31G* |