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18 10 26 16 45

CCSD/6-31G(2df,p) for rSD

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


Differences greater than 0.006 are in the 0.006 bin. Differences less than -0.001 are in the -0.001 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.001 0.000 0.001 0.001 0.002 0.002 0.003 0.003 0.004 0.004 0.005 0.005 0.006
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference DS Mercapto-d0.004
Most positive difference DS Mercapto-d0.004

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
DS Mercapto-d 1.341 0.004