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18 10 26 16 45

mPW1PW91/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 0 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 S2+ sulfur diatomic cation0.009
Most positive difference ClSSCl Disulfur dichloride0.043

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S2+ sulfur diatomic cation 1.825 0.009
S4 Sulfur tetramer 2.155 0.011
ClS2 Sulfur chloride 1.906 0.021
S3 Sulfur trimer 1.917 0.021
S8 Octasulfur 2.059 0.023
H2S2 Disulfane 2.056 0.024
S4 Sulfur tetramer 1.898 0.025
S2 Sulfur diatomic 1.889 0.025
HSSSH trisulfane 2.054 0.027
CH3SSCH3 Disulfide, dimethyl 2.038 0.030
SSO Disulfur monoxide 1.884 0.032
CH3SSH Hydrogen methyl disulfide 2.038 0.037
FSSF Difluorodisulfane 1.890 0.042
ClSSCl Disulfur dichloride 1.931 0.043