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18 10 26 16 45

MP3=FULL/6-311G** for rCBr

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 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
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3Br methyl bromide0.003
Most positive difference CH2BrF Methane, bromofluoro-0.021

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3Br methyl bromide 1.934 0.003
CF3Br Bromotrifluoromethane 1.923 0.005
BrCN Cyanogen bromide 1.789 0.006
HCCBr bromoacetylene 1.792 0.006
CH2BrCl Methane, bromochloro- 1.928 0.007
CHFClBr fluorochlorobromomethane 1.928 0.007
CBr Carbon monobromide 1.821 0.008
CH2BrF Methane, bromofluoro- 1.915 0.021