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Listing of experimental geometry data for HCCl (Chloromethylene)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
15.75930 0.60477 0.58138
Rotational Constants from 1983Kak/Sai:194
Calculated rotational constants for HCCl (Chloromethylene).

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
rCH 1.119 1 3 1983Kak/Sai:194 rz
rCCl 1.696 1 2 1983Kak/Sai:194 rz
aHCCl 101.4 2 1 3 1983Kak/Sai:194
picture of Chloromethylene

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 1
C-Cl 1
Atom x (Å) y (Å) z (Å)
C1 0.0457 1.1922 0.0000
Cl2 0.0457 -0.5039 0.0000
H3 -1.0510 1.4133 0.0000

Atom - Atom Distances (Å)
  C1 Cl2 H3
C11.69611.1188
Cl21.69612.2088
H31.11882.2088

Calculated geometries for HCCl (Chloromethylene).
References
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squib reference DOI
1983Kak/Sai:194 M KAKIMOTO, S SAITO, E HIROTA "Doppler-Limited Dye Laser Excitation Spectroscopy of HCCI" J. MOL. SPECT. 97, 194-203 (1983) 10.1016/0022-2852(83)90345-4

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