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18 10 26 16 45

B2PLYP=FULLultrafine/aug-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 2 histogram chart
histogram chart 0 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 diatomic0.048
Most positive difference CH3SSH Hydrogen methyl disulfide0.058

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S2 Sulfur diatomic 1.889 0.048
H2S2 Disulfane 2.056 0.048
S3 Sulfur trimer 1.917 0.049
SSO Disulfur monoxide 1.884 0.058
CH3SSH Hydrogen methyl disulfide 2.038 0.058