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18 10 26 16 45

MP3=FULL/6-31G(2df,p) for rCBr

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


Differences greater than 0.015 are in the 0.015 bin. Differences less than -0.045 are in the -0.045 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 histogram chart
-0.045 -0.040 -0.035 -0.030 -0.025 -0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CF3Br Bromotrifluoromethane-0.042
Most positive difference CH2BrF Methane, bromofluoro--0.017

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CF3Br Bromotrifluoromethane 1.923 -0.042
CHFClBr fluorochlorobromomethane 1.928 -0.037
HCCBr bromoacetylene 1.792 -0.036
CH2BrCl Methane, bromochloro- 1.928 -0.033
BrCN Cyanogen bromide 1.789 -0.031
CH3Br methyl bromide 1.934 -0.030
CBr Carbon monobromide 1.821 -0.022
CH2BrF Methane, bromofluoro- 1.915 -0.017