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18 10 26 16 45

BLYP/6-31G** for rCBr

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HCCBr bromoacetylene0.012
Most positive difference CH2BrF Methane, bromofluoro-0.087

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HCCBr bromoacetylene 1.792 0.012
BrCN Cyanogen bromide 1.789 0.020
CBr4 Carbon tetrabromide 1.942 0.039
C2H3Br vinyl bromide 1.884 0.044
CHBr3 bromoform 1.924 0.049
CH2Br2 dibromomethane 1.925 0.049
COBr2 Carbonic dibromide 1.917 0.052
CBr Carbon monobromide 1.821 0.054
CH3Br methyl bromide 1.934 0.055
CBrCl3 Methane, bromotrichloro- 1.944 0.056
CH2BrCl Methane, bromochloro- 1.928 0.057
CBrClF2 Methane, bromochlorodifluoro- 1.932 0.060
C2H5Br Ethyl bromide 1.950 0.064
CF3Br Bromotrifluoromethane 1.923 0.065
CHFClBr fluorochlorobromomethane 1.928 0.066
CH2BrF Methane, bromofluoro- 1.915 0.087