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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CH3CH2SH | ethanethiol | 109.4 | 108.9 | 0.5 |
CH3CH2SH | ethanethiol | 104.9 | 104.2 | 0.6 |
CH3CH2SH | ethanethiol | 109.3 | 108.9 | 0.4 |
C3H6S3 | 1,3,5-Trithiane | 112.8 | 106.7 | 6.1 |
C3H6S3 | 1,3,5-Trithiane | 107.5 | 109.3 | -1.8 |
H2CS | Thioformaldehyde | 121.7 | 121.8 | -0.0 |
CH3SSH | Hydrogen methyl disulfide | 106.6 | 106.2 | 0.4 |
CH3SSH | Hydrogen methyl disulfide | 110.1 | 110.6 | -0.5 |