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18 10 26 16 45

mPW1PW91/6-31G** for rSO

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 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 histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SO2Cl2 Sulfuryl chloride-0.004
Most positive difference H2SO4 Sulfuric acid0.036

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SO2Cl2 Sulfuryl chloride 1.443 -0.004
SOCl2 thionyl chloride 1.443 0.011
H2SO4 Sulfuric acid 1.422 0.016
HOSH hydrogen thioperoxide 1.662 0.016
CH3SOCH3 Dimethyl sulfoxide 1.485 0.018
SSO Disulfur monoxide 1.456 0.020
SO2 Sulfur dioxide 1.432 0.022
SOF4 Sulfur tetrafluoride oxide 1.409 0.022
SO Sulfur monoxide 1.481 0.024
SO3 Sulfur trioxide 1.418 0.026
C2H6O2S Dimethyl sulfone 1.431 0.031
H2SO4 Sulfuric acid 1.574 0.036