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Compare Experimental Geometries - experimental data

Species Name
CH3CHClCH3 Propane, 2-chloro-
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
rCC 1.522 1963Tob/Sch:1014   2 3   
rCCl 1.798 1963Tob/Sch:1014   1 2   
rCH 1.091 1963Tob/Sch:1014 on Cl carbon 2 5   
rCH 1.092 1963Tob/Sch:1014 methyl 3 6   
aCCC 112.7 1963Tob/Sch:1014   3 2 4  
aCCCl 109.4 1963Tob/Sch:1014   1 2 3  
aHCC 109.9 1963Tob/Sch:1014 to H on middle 3 2 5  
aHCC 110.9 1963Tob/Sch:1014 CH3 alpha 2 4 9  
aHCC 109.7 1963Tob/Sch:1014   2 3 6  

picture of
References
squibreference
1963Tob/Sch:1014 Tobiason, Schwendeman, Microwave Spectrum, Molecular Structure, and Quadrupole Coupling Constants of 2-Chloropropane, J. of Chem. Phys., Vol. 40, #4, pgs. 1014-1021