Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
SF5Cl | sulfur chloropentafluoride | 91.6 | 90.4 | 1.2 |
SFCl | Sulfur chloride fluoride | 100.7 | 101.7 | -1.0 |
B3LYP/6-31G(2df,p) for aFSCl
10 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
-1 | -0.8 | -0.6 | -0.4 | -0.2 | 0 | 0.2 | 0.4 | 0.6 | 0.8 | 1 | 1.2 | 1.4 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | SFCl | Sulfur chloride fluoride | -1.0 |
Most positive difference | SF5Cl | sulfur chloropentafluoride | 1.2 |