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18 10 26 16 45

TPSSh/Def2TZVPP for rSO

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 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 histogram chart
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3SOCH3 Dimethyl sulfoxide0.006
Most positive difference C2H6O2S Dimethyl sulfone0.015

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SOCH3 Dimethyl sulfoxide 1.485 0.006
SSO Disulfur monoxide 1.456 0.010
SO2 Sulfur dioxide 1.432 0.011
SO Sulfur monoxide 1.481 0.011
HOSH hydrogen thioperoxide 1.662 0.012
SO3 Sulfur trioxide 1.418 0.013
C2H6O2S Dimethyl sulfone 1.431 0.015