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Compare Bonds

18 10 26 16 45

CCSD(T)/6-31+G** for rSD

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


Differences greater than 0.002 are in the 0.002 bin. Differences less than -0.000 are in the -0.000 bin.

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

  Species Name Difference (Å)
Most negative difference DS Mercapto-d0.002
Most positive difference DS Mercapto-d0.002

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
DS Mercapto-d 1.341 0.002