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18 10 26 16 45

MP3=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 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 Bromotrifluoromethane0.001
Most positive difference CH2BrF Methane, bromofluoro-0.024

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CF3Br Bromotrifluoromethane 1.923 0.001
CHFClBr fluorochlorobromomethane 1.928 0.008
BrCN Cyanogen bromide 1.789 0.012
HCCBr bromoacetylene 1.792 0.014
CH2BrCl Methane, bromochloro- 1.928 0.014
CH3Br methyl bromide 1.934 0.016
CBr Carbon monobromide 1.821 0.018
CH2BrF Methane, bromofluoro- 1.915 0.024