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 Cl-C

17 01 10 14 40

ROMP2/6-31G

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


Values greater than 2.15 are in the 2.15 bin. Values less than 1.75 are in the 1.75 bin.

histogram chart 5 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 4 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line
histogram chart 3 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line
histogram chart 2 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line
histogram chart 1 line line line line histogram chart line line line line line line line line line line line histogram chart line line line line line histogram chart line line line line
histogram chart 0 line line 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 line line
1.75 1.80 1.85 1.90 1.95 2.00 2.05 2.10 2.15
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.913 0.115

  Species Name Bond Length (Å)
Lowest value CHCl2 dichloromethyl radical 1.798
Highest value CCl2- dichloromethylene anion 2.087

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3Cl+ Methyl chloride cation 1.979 1 2
CCl2- dichloromethylene anion 2.087 1 2
    2.087 1 3
ClCO carbonyl monochloride 1.989 1 2
CHCl2 dichloromethyl radical 1.798 1 3
    1.798 1 4
CHFCl Chlorofluoromethyl radical 1.807 1 4
CH2CH2Cl 2-chloroethyl radical 1.961 2 3
CFCl2 dichlorofluoromethyl radical 1.812 1 3
    1.812 1 4