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18 10 26 16 45

B1B95/TZVP 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 HOSH hydrogen thioperoxide0.020
Most positive difference C2H6O2S Dimethyl sulfone0.035

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HOSH hydrogen thioperoxide 1.662 0.020
SOF4 Sulfur tetrafluoride oxide 1.409 0.022
SSO Disulfur monoxide 1.456 0.023
SO Sulfur monoxide 1.481 0.024
SO2 Sulfur dioxide 1.432 0.025
SO3 Sulfur trioxide 1.418 0.026
CH3SOCH3 Dimethyl sulfoxide 1.485 0.026
C2H6O2S Dimethyl sulfone 1.431 0.035