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18 10 26 16 45

wB97X-D/SDD for rSS

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


Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference S2 Sulfur diatomic0.156
Most positive difference CH3SSH Hydrogen methyl disulfide0.206

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S2 Sulfur diatomic 1.889 0.156
SSO Disulfur monoxide 1.884 0.188
H2S2 Disulfane 2.056 0.194
CH3SSH Hydrogen methyl disulfide 2.038 0.206