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18 10 26 16 45

wB97X-D/cc-pVQZ for rSS

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


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

  Species Name Difference (Å)
Most negative difference S4 Sulfur tetramer-0.101
Most positive difference S4 Sulfur tetramer0.003

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S4 Sulfur tetramer 2.155 -0.101
S3 Sulfur trimer 1.917 -0.014
SSO Disulfur monoxide 1.884 -0.005
S2 Sulfur diatomic 1.889 -0.002
H2S2 Disulfane 2.056 0.002
S4 Sulfur tetramer 1.898 0.003