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
SiF2 Silicon difluoride 100.8 100.8 -0.1
SiF4 Silicon tetrafluoride 109.5 109.5 -0.0
SiHF3 trifluorosilane 108.2 108.1 0.1
SiH2F2 difluorosilane 107.8 107.7 0.1
SiF3 Silicon trifluoride radical 109.9 108.0 1.9

MP3/6-31+G** for aFSiF

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


Differences greater than 2.2 are in the 2.2 bin. Differences less than -0.2 are in the -0.2 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
-0.2 0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8 2 2.2
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference SiF2 Silicon difluoride -0.1
Most positive difference SiF3 Silicon trifluoride radical 1.9