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18 10 26 16 45

HF/aug-cc-pVDZ for rSO

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


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

  Species Name Difference (Å)
Most negative difference SO2Cl2 Sulfuryl chloride-0.015
Most positive difference CH3SOCH3 Dimethyl sulfoxide0.028

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SO2Cl2 Sulfuryl chloride 1.443 -0.015
SSO Disulfur monoxide 1.456 -0.002
SO Sulfur monoxide 1.481 -0.002
SOCl2 thionyl chloride 1.443 0.001
SO2 Sulfur dioxide 1.432 0.002
SO3 Sulfur trioxide 1.418 0.004
H2SO4 Sulfuric acid 1.422 0.007
HOSH hydrogen thioperoxide 1.662 0.008
H2SO4 Sulfuric acid 1.574 0.010
SOF4 Sulfur tetrafluoride oxide 1.409 0.010
C2H6O2S Dimethyl sulfone 1.431 0.027
CH3SOCH3 Dimethyl sulfoxide 1.485 0.028