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18 10 26 16 45

B2PLYP=FULLultrafine/3-21G for rCBr

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


Differences greater than 0.220 are in the 0.220 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
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference BrCN Cyanogen bromide0.044
Most positive difference CBr Carbon monobromide0.139

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
BrCN Cyanogen bromide 1.789 0.044
CH2BrCl Methane, bromochloro- 1.928 0.048
HCCBr bromoacetylene 1.792 0.051
CHFClBr fluorochlorobromomethane 1.928 0.056
CBr4 Carbon tetrabromide 1.942 0.057
C2H5Br Ethyl bromide 1.950 0.062
CH2Br2 dibromomethane 1.925 0.064
CF3Br Bromotrifluoromethane 1.923 0.069
CH3Br methyl bromide 1.934 0.071
CH2BrF Methane, bromofluoro- 1.915 0.105
CBr Carbon monobromide 1.821 0.139