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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

B2PLYP/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1024 0.7856 0.0000   -0.3511 0.7028 -0.1024
H2 -1.0060 1.3812 0.0000   -0.6173 1.2356 -1.0060
F3 0.9764 1.5904 0.0000   -0.7107 1.4227 0.9764
Br4 -0.1024 -0.2915 1.6107   1.5712 0.4590 -0.1024
Br5 -0.1024 -0.2915 -1.6107   -1.3106 -0.9807 -0.1024
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0823 1.3459 1.9377 1.9377
H2 1.0823 1.9934 2.4918 2.4918
F3 1.3459 1.9934 2.7018 2.7018
Br4 1.9377 2.4918 2.7018 3.2215
Br5 1.9377 2.4918 2.7018 3.2215
Maximum atom distance is 3.2215Å 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 109.415 F3 C1 Br5 109.415
Br4 C1 Br5 112.456
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.887 H2 C1 Br4 107.813
H2 C1 Br5 107.813

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