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 | 96.7 | 3.6 |
CH3CH2SH | ethanethiol | 96.2 | 107.3 | -11.1 |
CH3CH2SH | ethanethiol | 96.0 | 96.5 | -0.5 |