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18 10 26 16 45

PM6 for rCBr

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


Differences greater than 0.100 are in the 0.100 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference BrCN Cyanogen bromide-0.017
Most positive difference CF3Br Bromotrifluoromethane0.059

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
BrCN Cyanogen bromide 1.789 -0.017
CBr4 Carbon tetrabromide 1.942 -0.008
CH3Br methyl bromide 1.934 0.010
CH2Br2 dibromomethane 1.925 0.010
CH2BrCl Methane, bromochloro- 1.928 0.022
C2H5Br Ethyl bromide 1.950 0.028
CHFClBr fluorochlorobromomethane 1.928 0.046
CBr Carbon monobromide 1.821 0.054
CF3Br Bromotrifluoromethane 1.923 0.059