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

Listing of experimental geometry data for HOBr (Hypobromous acid)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
20.47007 0.35280 0.34634
Rotational Constants from 1989Kog/Tak:467
Calculated rotational constants for HOBr (Hypobromous 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
rBrO 1.834 2 3 1989Kog/Tak:467 rs
rOH 0.961 1 2 1989Kog/Tak:467 rs
aHOBr 102.3 1 2 3 1989Kog/Tak:467 rs
picture of Hypobromous 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-Br 1

Atom x (Å) y (Å) z (Å)
H1 -0.9176 1.6589 0.0000
O2 0.0213 1.4542 0.0000
Br3 0.0213 -0.3798 0.0000

Atom - Atom Distances (Å)
  H1 O2 Br3
H10.96102.2445
O20.96101.8340
Br32.24451.8340

Calculated geometries for HOBr (Hypobromous acid).


References
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squib reference DOI
1989Kog/Tak:467 Y Koga, H Takeo, S Kondo, M Sugie, C Matsumura, GA McRae, EA Cohen "The Rotational Spectra, Molecular Sturcture, Dipole Moment and Hyperfine Constants of HOBr and DOBr" J. Mol. Spec. 138, 467-481 (1989) 10.1016/0022-2852(89)90013-1

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