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18 10 26 16 45

B3LYP/6-31G* for rSD

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference DS Mercapto-d0.014
Most positive difference DS Mercapto-d0.014

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
DS Mercapto-d 1.341 0.014