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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

MP2/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1065 0.7912 0.0000   -0.3486 0.7103 -0.1065
H2 -0.9923 1.4167 0.0000   -0.6242 1.2718 -0.9923
F3 1.0092 1.5865 0.0000   -0.6990 1.4243 1.0092
Br4 -0.1065 -0.2920 1.5986   1.5638 0.4421 -0.1065
Br5 -0.1065 -0.2920 -1.5986   -1.3065 -0.9665 -0.1065
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0845 1.3702 1.9311 1.9311
H2 1.0845 2.0087 2.5021 2.5021
F3 1.3702 2.0087 2.7073 2.7073
Br4 1.9311 2.5021 2.7073 3.1973
Br5 1.9311 2.5021 2.7073 3.1973
Maximum atom distance is 3.1973Å 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 109.003 F3 C1 Br5 109.003
Br4 C1 Br5 111.757
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.288 H2 C1 Br4 108.879
H2 C1 Br5 108.879

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