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

Listing of experimental geometry data for HOCl (hypochlorous acid)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
20.46362 0.50424 0.49120
Rotational Constants from 1994Jun/Laf:583
Calculated rotational constants for HOCl (hypochlorous acid).

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
rOH 0.964 1 2 1998Kuc re value
rClO 1.691 1 3 1998Kuc re value
aHOCl 102.45 2 1 3 1998Kuc re value
picture of hypochlorous acid

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

Atom x (Å) y (Å) z (Å)
O1 0.0362 1.0964 0.0000
H2 -0.9048 1.3042 0.0000
Cl3 0.0362 -0.5927 0.0000

Atom - Atom Distances (Å)
  O1 H2 Cl3
O10.96361.6891
H20.96362.1174
Cl31.68912.1174

Calculated geometries for HOCl (hypochlorous acid).


References
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squib reference DOI
1994Jun/Laf:583 Junttila, M.L.; Lafferty, W.J.; Burkholder, J.B. "The High Resolution Spectrum of the Nu(1) Band and Ground-State Rotational-Constants of HOCl." Journal of Molecular Spectroscopy. 164, 583-585 (1994) 10.1006/jmsp.1994.1102
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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