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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

B1B95/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1022 0.7961 0.0000   -0.3482 0.7159 -0.1022
H2 -1.0118 1.3873 0.0000   -0.6068 1.2476 -1.0118
F3 0.9752 1.5884 0.0000   -0.6948 1.4284 0.9752
Br4 -0.1022 -0.2923 1.5935   1.5608 0.4341 -0.1022
Br5 -0.1022 -0.2923 -1.5935   -1.3051 -0.9598 -0.1022
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0849 1.3373 1.9297 1.9297
H2 1.0849 1.9972 2.4875 2.4875
F3 1.3373 1.9972 2.6901 2.6901
Br4 1.9297 2.4875 2.6901 3.1870
Br5 1.9297 2.4875 2.6901 3.1870
Maximum atom distance is 3.1870Å 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 109.521 F3 C1 Br5 109.521
Br4 C1 Br5 111.332
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.648 H2 C1 Br4 107.900
H2 C1 Br5 107.900

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