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18 10 26 16 45

HSEh1PBE/6-31G** for rCBr

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


Differences greater than 0.045 are in the 0.045 bin. Differences less than -0.015 are in the -0.015 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HCCBr bromoacetylene-0.014
Most positive difference CH2BrF Methane, bromofluoro-0.032

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HCCBr bromoacetylene 1.792 -0.014
BrCN Cyanogen bromide 1.789 -0.012
CBr4 Carbon tetrabromide 1.942 -0.007
CH2Br2 dibromomethane 1.925 0.004
CH3Br methyl bromide 1.934 0.005
CBrCl3 Methane, bromotrichloro- 1.944 0.006
CH2BrCl Methane, bromochloro- 1.928 0.008
C2H5Br Ethyl bromide 1.950 0.009
CF3Br Bromotrifluoromethane 1.923 0.012
CBr Carbon monobromide 1.821 0.013
CHFClBr fluorochlorobromomethane 1.928 0.014
CH2BrF Methane, bromofluoro- 1.915 0.032