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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

1910171554
InChI=1S/CHBr2F/c2-1(3)4/h1H INChIKey=LTUTVFXOEGMHMP-UHFFFAOYSA-N

CCD/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1021 0.7798 0.0000   -0.3482 0.6977 -0.1021
H2 -1.0069 1.3802 0.0000   -0.6164 1.2350 -1.0069
F3 0.9743 1.5868 0.0000   -0.7086 1.4197 0.9743
Br4 -0.1021 -0.2906 1.6108   1.5710 0.4594 -0.1021
Br5 -0.1021 -0.2906 -1.6108   -1.3115 -0.9793 -0.1021
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0858 1.3453 1.9340 1.9340
H2 1.0858 1.9918 2.4910 2.4910
F3 1.3453 1.9918 2.6977 2.6977
Br4 1.9340 2.4910 2.6977 3.2216
Br5 1.9340 2.4910 2.6977 3.2216
Maximum atom distance is 3.2216Å between atoms Br4 and Br5.
picture of dibromofluoromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 Br4 109.389 F3 C1 Br5 109.389
Br4 C1 Br5 112.791
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.573 H2 C1 Br4 107.820
H2 C1 Br5 107.820

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