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Compare Bonds

18 10 26 16 45

PBEPBEultrafine/6-311G* 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
histogram chart 0 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 S3 Sulfur trimer0.046
Most positive difference CH3SSH Hydrogen methyl disulfide0.060

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S3 Sulfur trimer 1.917 0.046
S2 Sulfur diatomic 1.889 0.046
H2S2 Disulfane 2.056 0.049
SSO Disulfur monoxide 1.884 0.053
HSSSH trisulfane 2.053 0.054
CH3SSH Hydrogen methyl disulfide 2.038 0.060