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18 10 26 16 45

PBEPBEultrafine/cc-pVTZ 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 2 histogram chart
histogram chart 0 histogram chart 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 sulfoxide0.026
Most positive difference SO3 Sulfur trioxide0.039

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SOCH3 Dimethyl sulfoxide 1.485 0.026
SOF4 Sulfur tetrafluoride oxide 1.409 0.031
HOSH hydrogen thioperoxide 1.662 0.032
SO Sulfur monoxide 1.481 0.034
SSO Disulfur monoxide 1.456 0.035
SO2 Sulfur dioxide 1.432 0.037
C2H6O2S Dimethyl sulfone 1.431 0.039
SO3 Sulfur trioxide 1.418 0.039