Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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 |
---|---|---|---|---|
SiCl3CH3 | methyltrichlorosilane | 108.6 | 108.4 | 0.2 |
SiH2Cl2 | dichlorosilane | 109.7 | 110.2 | -0.5 |
MP4=FULL/cc-pVTZ for aClSiCl
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.5 | -0.4 | -0.3 | -0.2 | -0.1 | 0 | 0.1 | 0.2 | 0.3 | 0.4 | 0.5 | 0.6 | 0.7 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | SiH2Cl2 | dichlorosilane | -0.5 |
Most positive difference | SiCl3CH3 | methyltrichlorosilane | 0.2 |