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18 10 26 16 45

B97D3/daug-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 0 histogram chart 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 H2SO4 Sulfuric acid0.021
Most positive difference H2SO4 Sulfuric acid0.057

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2SO4 Sulfuric acid 1.422 0.021
CH3SOCH3 Dimethyl sulfoxide 1.485 0.025
SSO Disulfur monoxide 1.456 0.031
SO Sulfur monoxide 1.481 0.032
SO2 Sulfur dioxide 1.432 0.033
SO3 Sulfur trioxide 1.418 0.034
H2SO4 Sulfuric acid 1.574 0.057