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18 10 26 16 45

B97D3/STO-3G for rSO

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


Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 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
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HOSH hydrogen thioperoxide0.112
Most positive difference SO3 Sulfur trioxide0.233

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HOSH hydrogen thioperoxide 1.662 0.112
CH3SOCH3 Dimethyl sulfoxide 1.485 0.135
SO Sulfur monoxide 1.481 0.137
SSO Disulfur monoxide 1.456 0.184
C2H6O2S Dimethyl sulfone 1.431 0.197
SO2 Sulfur dioxide 1.432 0.206
SO3 Sulfur trioxide 1.418 0.233