return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
SiH2Cl2 dichlorosilane 109.7 110.0 -0.3
SiHCl3 Trichlorosilane 109.4 109.6 -0.2
SiCl4 Silane, tetrachloro- 109.5 109.5 -0.0
SiCl2 Dichlorosilylene 104.2 101.5 2.7

HF/6-311+G(3df,2p) for aClSiCl

Histogram of angle differences (in degrees) vs number of species


Differences greater than 5.5 are in the 5.5 bin. Differences less than -0.5 are in the -0.5 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart
-0.5 0 0.5 1 1.5 2 2.5 3 3.5 4 4.5 5 5.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference SiH2Cl2 dichlorosilane -0.3
Most positive difference SiCl2 Dichlorosilylene 2.7