return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for HOBr+ (Hypobromous acid cation) 2A" CS

1910171554
InChI=1S/BrHO/c1-2/h2H/q+1 INChIKey=XYOOZIOGTBYZIU-UHFFFAOYSA-N

LSDA/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.9203 1.7139 0.0000   1.7486 -0.8526 0.0000
O2 0.0214 1.3800 0.0000   1.3781 0.0753 0.0000
Br3 0.0214 -0.3644 0.0000   -0.3650 0.0071 0.0000
Atom - Atom Distances (Å)
  H1 O2 Br3
H1 0.9992 2.2817
O2 0.9992 1.7444
Br3 2.2817 1.7444
Maximum atom distance is 2.2817Å between atoms H1 and Br3.
picture of Hypobromous acid cation
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 O2 Br3 109.521

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.