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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

MP3/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1019 0.7827 0.0000   -0.3424 0.7038 -0.1019
H2 -1.0040 1.3775 0.0000   -0.6027 1.2386 -1.0040
F3 0.9719 1.5884 0.0000   -0.6950 1.4283 0.9719
Br4 -0.1019 -0.2910 1.6122   1.5770 0.4437 -0.1019
Br5 -0.1019 -0.2910 -1.6122   -1.3223 -0.9670 -0.1019
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0806 1.3425 1.9369 1.9369
H2 1.0806 1.9872 2.4893 2.4893
F3 1.3425 1.9872 2.6989 2.6989
Br4 1.9369 2.4893 2.6989 3.2243
Br5 1.9369 2.4893 2.6989 3.2243
Maximum atom distance is 3.2243Å 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 109.431 F3 C1 Br5 109.431
Br4 C1 Br5 112.674
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.719 H2 C1 Br4 107.766
H2 C1 Br5 107.766

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