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18 10 26 16 45

wB97X-D/aug-cc-pVQZ for rCBr

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


Differences greater than 0.016 are in the 0.016 bin. Differences less than -0.008 are in the -0.008 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 histogram chart histogram chart
-0.008 -0.006 -0.004 -0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CBr Carbon monobromide-0.008
Most positive difference CHFClBr fluorochlorobromomethane0.006

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CBr Carbon monobromide 1.821 -0.008
BrCN Cyanogen bromide 1.789 -0.003
CH2Br2 dibromomethane 1.925 0.000
CH3Br methyl bromide 1.934 0.001
CH2BrCl Methane, bromochloro- 1.928 0.001
C2H5Br Ethyl bromide 1.950 0.002
CHFClBr fluorochlorobromomethane 1.928 0.006