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18 10 26 16 45

B3LYPultrafine/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 S3 Sulfur trimer0.035
Most positive difference CH3SSH Hydrogen methyl disulfide0.054

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S3 Sulfur trimer 1.917 0.035
S4 Sulfur tetramer 1.898 0.038
S2 Sulfur diatomic 1.889 0.038
SSO Disulfur monoxide 1.884 0.039
S4 Sulfur tetramer 2.155 0.042
H2S2 Disulfane 2.056 0.043
HSSSH trisulfane 2.053 0.046
CH3SSH Hydrogen methyl disulfide 2.038 0.054