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18 10 26 16 45

QCISD/3-21G* for rCBr

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CF3Br Bromotrifluoromethane0.007
Most positive difference CBr Carbon monobromide0.071

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CF3Br Bromotrifluoromethane 1.923 0.007
CBrClF2 Methane, bromochlorodifluoro- 1.932 0.009
CBr4 Carbon tetrabromide 1.942 0.011
CBrCl3 Methane, bromotrichloro- 1.944 0.011
CHFClBr fluorochlorobromomethane 1.928 0.024
COBr2 Carbonic dibromide 1.917 0.028
CHBr3 bromoform 1.924 0.028
CH2BrCl Methane, bromochloro- 1.928 0.031
C2H5Br Ethyl bromide 1.950 0.031
CH2Br2 dibromomethane 1.925 0.033
HCCBr bromoacetylene 1.792 0.035
BrCN Cyanogen bromide 1.789 0.035
CH3Br methyl bromide 1.934 0.039
CH2BrF Methane, bromofluoro- 1.915 0.052
CBr Carbon monobromide 1.821 0.071