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18 10 26 16 45

BLYP/Def2TZVPP for rCBr

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 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 histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference BrCN Cyanogen bromide0.019
Most positive difference C2H5Br Ethyl bromide0.058

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
BrCN Cyanogen bromide 1.789 0.019
CBr Carbon monobromide 1.821 0.031
CBr4 Carbon tetrabromide 1.942 0.040
CH2Br2 dibromomethane 1.925 0.045
CH3Br methyl bromide 1.934 0.049
CF3Br Bromotrifluoromethane 1.923 0.054
CH2BrCl Methane, bromochloro- 1.928 0.054
CHFClBr fluorochlorobromomethane 1.928 0.058
C2H5Br Ethyl bromide 1.950 0.058