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18 10 26 16 45

M06-2X/aug-cc-pVTZ 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
-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 SOCl2 thionyl chloride-0.005
Most positive difference C2H6O2S Dimethyl sulfone0.019

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SOCl2 thionyl chloride 1.443 -0.005
SSO Disulfur monoxide 1.456 0.002
SO2 Sulfur dioxide 1.432 0.004
HOSH hydrogen thioperoxide 1.662 0.004
SO Sulfur monoxide 1.481 0.005
SOF4 Sulfur tetrafluoride oxide 1.409 0.008
SO3 Sulfur trioxide 1.418 0.009
CH3SOCH3 Dimethyl sulfoxide 1.485 0.014
C2H6O2S Dimethyl sulfone 1.431 0.019