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18 10 26 16 45

B97D3/Def2TZVPP for rSO

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 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
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3SOCH3 Dimethyl sulfoxide0.009
Most positive difference HOSH hydrogen thioperoxide0.023

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SOCH3 Dimethyl sulfoxide 1.485 0.009
SSO Disulfur monoxide 1.456 0.018
SO2 Sulfur dioxide 1.432 0.019
C2H6O2S Dimethyl sulfone 1.431 0.019
SO3 Sulfur trioxide 1.418 0.020
SO Sulfur monoxide 1.481 0.023
HOSH hydrogen thioperoxide 1.662 0.023