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18 10 26 16 45

B3LYPultrafine/6-311G* for rSS

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 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
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference S4 Sulfur tetramer0.035
Most positive difference S4 Sulfur tetramer0.072

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S4 Sulfur tetramer 1.898 0.035
S3 Sulfur trimer 1.917 0.036
S2 Sulfur diatomic 1.889 0.038
SSO Disulfur monoxide 1.884 0.038
H2S2 Disulfane 2.056 0.054
HSSSH trisulfane 2.053 0.056
CH3SSH Hydrogen methyl disulfide 2.038 0.065
S4 Sulfur tetramer 2.155 0.072