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 C-Cl

17 01 10 14 40

MP4=FULL/aug-cc-pVTZ

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


Values greater than 1.82 are in the 1.82 bin. Values less than 1.58 are in the 1.58 bin.

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 line line line line 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 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 histogram chart line line line line line line 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 histogram chart line line line line line line 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 line line line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line line line line line line
histogram chart 0 line line line line histogram chart line line histogram chart line line histogram chart line line line line line line line line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line histogram chart line
1.58 1.60 1.62 1.64 1.66 1.68 1.70 1.72 1.74 1.76 1.78 1.80 1.82
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.726 0.058

  Species Name Bond Length (Å)
Lowest value CH2Cl+ chloromethyl cation 1.594
Highest value CH2CH2Cl 2-chloroethyl radical 1.830

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HCCl Chloromethylene 1.695 1 2
CH2Cl+ chloromethyl cation 1.594 1 2
CH3Cl Methyl chloride 1.784 1 2
CD3Cl methyl chloride d3 1.784 1 2
CFCl chlorofluoromethylene 1.746 1 3
ClCO carbonyl monochloride 1.801 1 2
HCCCl Chloroacetylene 1.643 2 3
CHCl2 dichloromethyl radical 1.701 1 3
    1.701 1 4
CHCl2+ dichloromethyl cation 1.627 1 3
    1.627 1 4
CHFCl Chlorofluoromethyl radical 1.707 1 4
CHFCl+ Chlorofluoromethyl cation 1.608 1 4
CH2Cl2 Methylene chloride 1.770 1 4
    1.770 1 5
CH2CH2Cl 2-chloroethyl radical 1.830 2 3
Cl2CS Thiophosgene 1.735 1 3
    1.735 1 4
CFCl2 dichlorofluoromethyl radical 1.716 1 3
    1.716 1 4
CHFCHClz (Z)-1-Chloro-2-fluoroethene 1.718 1 3
CHFCHCl (E)-1-chloro-2-fluoroethene 1.724 1 3
C2H2ClF 1-chloro-1-fluoroethylene 1.716 1 4
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1.785 1 3
CHCl2CCH 3,3-dichloropropyne 1.784 3 4
    1.784 3 5
SiH3CCl3 (trichloromethyl)silane 1.781 2 6
    1.781 2 7
    1.781 2 8
CF2CCl2 difluorodichloroethylene 1.714 2 5
    1.714 2 6
CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1.700 1 5
    1.700 2 6