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18 10 26 16 45

wB97X-D/6-311G** for rSO

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


Differences greater than 0.045 are in the 0.045 bin. Differences less than -0.015 are in the -0.015 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SO2Cl2 Sulfuryl chloride-0.011
Most positive difference C2H6O2S Dimethyl sulfone0.021

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SO2Cl2 Sulfuryl chloride 1.443 -0.011
SOCl2 thionyl chloride 1.443 -0.004
H2SO4 Sulfuric acid 1.422 0.000
SOF4 Sulfur tetrafluoride oxide 1.409 0.008
SSO Disulfur monoxide 1.456 0.009
SO2 Sulfur dioxide 1.432 0.011
CH3SOCH3 Dimethyl sulfoxide 1.485 0.012
SO3 Sulfur trioxide 1.418 0.014
H2SO4 Sulfuric acid 1.574 0.015
SO Sulfur monoxide 1.481 0.016
HOSH hydrogen thioperoxide 1.662 0.017
C2H6O2S Dimethyl sulfone 1.431 0.021