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II.A.3. (XII.A.1.)

Listing of experimental geometry data for CH2Cl (chloromethyl radical)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
9.15233 0.53197 0.50225
Rotational Constants from 1982End/Sai:1347
Calculated rotational constants for CH2Cl (chloromethyl radical).

Point Group Cs

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rHC 1.090 1 3 1998Kuc rHC assumed as well as planarity
rCCl 1.691 1 2 1998Kuc
aHCH 122.6 3 1 4 1998Kuc
picture of chloromethyl radical

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-Cl 1
H-C 2

Atom x (Å) y (Å) z (Å)
C1      

Atom - Atom Distances (Å)
  C1
C1

Calculated geometries for CH2Cl (chloromethyl radical).


References
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squib reference DOI
1982End/Sai:1347 Y Endo, S Saito E Hirota "The microwave spectrum of the chloromethyl radical CH2Cl" Can. J. Phys. 62, 1347 (1984) 10.1139/p84-182
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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