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18 10 26 16 45

B3LYP/SDD for rSiF

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SiF4 Silicon tetrafluoride0.095
Most positive difference SiH3F monofluorosilane0.112

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SiF4 Silicon tetrafluoride 1.554 0.095
SiHF3 trifluorosilane 1.563 0.104
SiH2F2 difluorosilane 1.576 0.110
SiH3F monofluorosilane 1.595 0.112