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Geometry for COHBr (Formyl bromide) 1A' CS

1910171554
InChI=1S/CHBrO/c2-1-3/h1H INChIKey=AIFARXRIYKCEEV-UHFFFAOYSA-N

ROHF/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3704 -1.1983 0.0000   -1.2195 0.2934 0.0000
O2 -0.4579 -2.0039 0.0000   -1.9707 -0.5846 0.0000
H3 1.4409 -1.3744 0.0000   -1.4634 1.3504 0.0000
Br4 0.0000 0.7027 0.0000   0.7013 0.0447 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 Br4
C1 1.1555 1.0848 1.9368
O2 1.1555 2.0004 2.7451
H3 1.0848 2.0004 2.5280
Br4 1.9368 2.7451 2.5280
Maximum atom distance is 2.7451Å between atoms O2 and Br4.
picture of Formyl bromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 Br4 123.174
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H3 126.457 H3 C1 Br4 110.369

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