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18 10 26 16 45

QCISD(T)/aug-cc-pVTZ for rCBr

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


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

  Species Name Difference (Å)
Most negative difference CF3Br Bromotrifluoromethane-0.003
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 -0.003
CHFClBr fluorochlorobromomethane 1.928 0.002
C2H5Br Ethyl bromide 1.950 0.003
CH2Br2 dibromomethane 1.925 0.003
CH2BrCl Methane, bromochloro- 1.928 0.003
HCCBr bromoacetylene 1.792 0.003
BrCN Cyanogen bromide 1.789 0.004
CH3Br methyl bromide 1.934 0.006
CBr Carbon monobromide 1.821 0.007
CH2BrF Methane, bromofluoro- 1.915 0.017