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18 10 26 16 45

PBEPBE/6-31G for rSO

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


Differences greater than 0.220 are in the 0.220 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
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SOCl2 thionyl chloride0.171
Most positive difference C2H6O2S Dimethyl sulfone0.215

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SOCl2 thionyl chloride 1.443 0.171
HOSH hydrogen thioperoxide 1.662 0.175
SO Sulfur monoxide 1.481 0.176
SOF4 Sulfur tetrafluoride oxide 1.409 0.184
CH3SOCH3 Dimethyl sulfoxide 1.485 0.191
SSO Disulfur monoxide 1.456 0.195
SO2 Sulfur dioxide 1.432 0.202
SO3 Sulfur trioxide 1.418 0.214
C2H6O2S Dimethyl sulfone 1.431 0.215