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18 10 26 16 45

B3LYP/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
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 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 HCCBr bromoacetylene0.011
Most positive difference CH2BrF Methane, bromofluoro-0.055

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HCCBr bromoacetylene 1.792 0.011
BrCN Cyanogen bromide 1.789 0.014
CBr4 Carbon tetrabromide 1.942 0.024
C2H3Br vinyl bromide 1.884 0.024
CH2Br2 dibromomethane 1.925 0.026
CH3Br methyl bromide 1.934 0.028
CHBr3 bromoform 1.924 0.030
CBr Carbon monobromide 1.821 0.030
COBr2 Carbonic dibromide 1.917 0.031
CBrCl3 Methane, bromotrichloro- 1.944 0.031
CH2BrCl Methane, bromochloro- 1.928 0.032
CBrClF2 Methane, bromochlorodifluoro- 1.932 0.032
CF3Br Bromotrifluoromethane 1.923 0.034
C2H5Br Ethyl bromide 1.950 0.035
CHFClBr fluorochlorobromomethane 1.928 0.038
CH2BrF Methane, bromofluoro- 1.915 0.055