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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S8 | Octasulfur | 107.9 | 108.9 | -1.0 |
S3 | Sulfur trimer | 117.4 | 118.2 | -0.9 |
HSSSH | trisulfane | 107.0 | 108.5 | -1.5 |
HSSSH | trisulfane | 106.9 | 108.5 | -1.6 |