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18 10 26 16 45

B2PLYP=FULLultrafine/6-31G(2df,p) for rSS

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
-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 H2S2 Disulfane0.011
Most positive difference SSO Disulfur monoxide0.025

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2S2 Disulfane 2.056 0.011
S3 Sulfur trimer 1.917 0.017
S2 Sulfur diatomic 1.889 0.021
CH3SSH Hydrogen methyl disulfide 2.038 0.022
SSO Disulfur monoxide 1.884 0.025