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18 10 26 16 45

B1B95/cc-pVDZ 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
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart 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 S4 Sulfur tetramer0.003
Most positive difference ClSSCl Disulfur dichloride0.038

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S4 Sulfur tetramer 2.155 0.003
S2+ sulfur diatomic cation 1.825 0.009
ClS2 Sulfur chloride 1.906 0.017
H2S2 Disulfane 2.056 0.019
S3 Sulfur trimer 1.917 0.019
S4 Sulfur tetramer 1.898 0.020
S8 Octasulfur 2.059 0.020
HSSSH trisulfane 2.054 0.022
S2 Sulfur diatomic 1.889 0.025
SSO Disulfur monoxide 1.884 0.026
CH3SSCH3 Disulfide, dimethyl 2.038 0.026
CH3SSH Hydrogen methyl disulfide 2.038 0.030
FSSF Difluorodisulfane 1.890 0.036
ClSSCl Disulfur dichloride 1.931 0.038