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18 10 26 16 45

HF/aug-cc-pVTZ for rSS

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


Differences greater than 0.070 are in the 0.070 bin. Differences less than -0.050 are in the -0.050 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 histogram chart histogram chart
-0.050 -0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference S2+ sulfur diatomic cation-0.040
Most positive difference ClSSCl Disulfur dichloride0.061

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S2+ sulfur diatomic cation 1.825 -0.040
SSO Disulfur monoxide 1.884 -0.022
S2 Sulfur diatomic 1.889 -0.018
S8 Octasulfur 2.059 -0.003
HSSSH trisulfane 2.054 0.005
H2S2 Disulfane 2.056 0.006
CH3SSCH3 Disulfide, dimethyl 2.038 0.011
CH3SSH Hydrogen methyl disulfide 2.038 0.018
FSSF Difluorodisulfane 1.890 0.052
ClSSCl Disulfur dichloride 1.931 0.061