return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for Br-C

17 01 10 14 40

MP3=FULL/3-21G

Histogram of Bond lengths (in Å) vs number of species


Values greater than 2.04 are in the 2.04 bin. Values less than 1.82 are in the 1.82 bin.

histogram chart 12 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 10 line line line line line line line line line line line line line line line line line line line line line line line line line line line line histogram chart line line line line line line line
histogram chart 8 line line line line line line line line line line line line line line line line line line line line line line line line line line line line histogram chart line line line line line line line
histogram chart 6 line line line line line line line line line line line line line line line line line line line line line line line line line histogram chart line line histogram chart line line line line line line line
histogram chart 4 line line line line line line line line line line line line line line line line line line line histogram chart line line line line line histogram chart line line histogram chart line line line line line line line
histogram chart 2 line line line line line line line line line line line line line line line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line histogram chart line line line line
histogram chart 0 line line line line histogram chart line line histogram chart line line line line line line line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line histogram chart line line line line
1.82 1.84 1.86 1.88 1.90 1.92 1.94 1.96 1.98 2.00 2.02 2.04
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.966 0.048

  Species Name Bond Length (Å)
Lowest value CH2Cl chloromethyl radical 1.833
Highest value CH2BrF Methane, bromofluoro- 2.019

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CBr Carbon monobromide 1.975 1 2
CH2Cl chloromethyl radical 1.833 1 2
CH2Br bromomethyl radical 1.929 1 2
CH3Br methyl bromide 2.012 1 2
BrCN Cyanogen bromide 1.843 1 3
CBr2 dibromomethylene 2.013 1 2
    2.013 1 3
HCCBr bromoacetylene 1.856 2 3
CHBr2 dibromomethyl radical 1.928 1 3
    1.928 1 4
CH2BrCl Methane, bromochloro- 1.985 1 2
CH2BrF Methane, bromofluoro- 2.019 1 3
CBr3 tribromomethyl radical 1.935 1 2
    1.935 1 3
    1.935 1 4
CHBrCl2 Methane, bromodichloro- 1.972 1 3
CHFClBr fluorochlorobromomethane 1.990 1 2
CHBr2F dibromofluoromethane 2.003 1 4
    2.003 1 5
CHBrCHBr Ethene, 1,2-dibromo-, (Z)- 1.936 1 3
    1.936 2 4
CF3Br Bromotrifluoromethane 1.994 1 2
CFBr3 fluorotribromomethane 2.003 1 3
    2.003 1 4
    2.003 1 5
CBr2ClF dibromochlorofluoromethane 1.990 1 4
    1.990 1 5
CBrCl2F bromodichlorofluoromethane 1.979 1 2
CBr3Cl tribromochloromethane 1.993 1 3
    1.993 1 4
    1.993 1 5
CBr2Cl2 dibromodichloromethane 1.982 1 4
    1.982 1 5