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18 10 26 16 45

MP3=FULL/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 2 histogram chart
histogram chart 0 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 bromide0.054
Most positive difference CBr Carbon monobromide0.154

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
BrCN Cyanogen bromide 1.789 0.054
CH2BrCl Methane, bromochloro- 1.928 0.057
CHFClBr fluorochlorobromomethane 1.928 0.062
HCCBr bromoacetylene 1.792 0.064
CF3Br Bromotrifluoromethane 1.923 0.071
CH3Br methyl bromide 1.934 0.078
CH2BrF Methane, bromofluoro- 1.915 0.104
CBr Carbon monobromide 1.821 0.154