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
CH3SiH3 methyl silane 108.4 108.3 0.1
SiH2Cl2 dichlorosilane 111.3 113.3 -2.0
SiH4 Silane 109.5 109.5 -0.0
SiH3Cl chlorosilane 110.6 110.6 0.0
SiH3F monofluorosilane 110.6 110.7 -0.1
SiH3 Silyl radical 110.5 111.1 -0.6
SiH2F2 difluorosilane 114.6 115.3 -0.8

B2PLYP=FULLultrafine/cc-pVDZ for aHSiH

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


Differences greater than 0.400000000000001 are in the 0.400000000000001 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
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-2 -1.8 -1.6 -1.4 -1.2 -1 -0.8 -0.6 -0.4 -0.2 2.22044604925031E-16 0.2 0.400000000000001
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference SiH2Cl2 dichlorosilane -2.0
Most positive difference CH3SiH3 methyl silane 0.1