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18 10 26 16 45

PBEPBEultrafine/6-31G** 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 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 Disulfane0.038
Most positive difference SSO Disulfur monoxide0.053

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2S2 Disulfane 2.056 0.038
S3 Sulfur trimer 1.917 0.045
HSSSH trisulfane 2.053 0.045
S2 Sulfur diatomic 1.889 0.046
CH3SSH Hydrogen methyl disulfide 2.038 0.049
SSO Disulfur monoxide 1.884 0.053