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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: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name | Experimental Angle | Calculated Angle | Difference |
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CH3SH | Methanethiol | 100.3 | 97.2 | 3.1 |
CH3CH2SH | ethanethiol | 96.2 | 106.9 | -10.7 |
CH3CH2SH | ethanethiol | 96.0 | 97.0 | -1.0 |