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18 10 26 16 45

B2PLYP=FULL/aug-cc-pVDZ for rCBr

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 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
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CF3Br Bromotrifluoromethane0.010
Most positive difference CH2BrF Methane, bromofluoro-0.033

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CF3Br Bromotrifluoromethane 1.923 0.010
HCCBr bromoacetylene 1.792 0.010
BrCN Cyanogen bromide 1.789 0.011
CHFClBr fluorochlorobromomethane 1.928 0.017
CBr Carbon monobromide 1.821 0.018
CH2Br2 dibromomethane 1.925 0.019
CH2BrCl Methane, bromochloro- 1.928 0.022
CH3Br methyl bromide 1.934 0.023
C2H5Br Ethyl bromide 1.950 0.025
CH2BrF Methane, bromofluoro- 1.915 0.033