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18 10 26 16 45

BLYP/6-311G** 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
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
-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 bromoacetylene0.023
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 0.023
BrCN Cyanogen bromide 1.789 0.027
C2H3Br vinyl bromide 1.884 0.047
CBr Carbon monobromide 1.821 0.048
CBr4 Carbon tetrabromide 1.942 0.050
CH2Br2 dibromomethane 1.925 0.052
CHBr3 bromoform 1.924 0.055
CH3Br methyl bromide 1.934 0.057
CH2BrCl Methane, bromochloro- 1.928 0.059
CBrClF2 Methane, bromochlorodifluoro- 1.932 0.062
CBrCl3 Methane, bromotrichloro- 1.944 0.062
COBr2 Carbonic dibromide 1.917 0.064
CF3Br Bromotrifluoromethane 1.923 0.064
CHFClBr fluorochlorobromomethane 1.928 0.067
C2H5Br Ethyl bromide 1.950 0.067
CH2BrF Methane, bromofluoro- 1.915 0.087