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18 10 26 16 45

BLYP/6-311+G(3df,2p) 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
histogram chart 2 histogram chart
histogram chart 0 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 CH3SOCH3 Dimethyl sulfoxide0.023
Most positive difference HOSH hydrogen thioperoxide0.043

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SOCH3 Dimethyl sulfoxide 1.485 0.023
SO2 Sulfur dioxide 1.432 0.029
SSO Disulfur monoxide 1.456 0.029
C2H6O2S Dimethyl sulfone 1.431 0.031
SO3 Sulfur trioxide 1.418 0.031
SO Sulfur monoxide 1.481 0.032
HOSH hydrogen thioperoxide 1.662 0.043