return to home page 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

Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
Si2H6 disilane 109.5 108.7 0.8
SiH2Cl2 dichlorosilane 111.3 113.2 -1.9
SiH3F monofluorosilane 110.6 110.7 -0.1
SiH3 Silyl radical 110.5 110.9 -0.4
SiH3+ Silyl cation 120.0 120.0 -0.0

M06-2X/aug-cc-pCVTZ for aHSiH

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


Differences greater than 4 are in the 4 bin. Differences less than -2 are in the -2 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 histogram chart
-2 -1.5 -1 -0.5 0 0.5 1 1.5 2 2.5 3 3.5 4
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference SiH2Cl2 dichlorosilane -1.9
Most positive difference Si2H6 disilane 0.8