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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

B1B95/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1015 0.7829 0.0000   -0.3404 0.7050 -0.1015
H2 -1.0067 1.3774 0.0000   -0.5990 1.2403 -1.0067
F3 0.9686 1.5845 0.0000   -0.6890 1.4268 0.9686
Br4 -0.1015 -0.2905 1.6056   1.5721 0.4366 -0.1015
Br5 -0.1015 -0.2905 -1.6056   -1.3195 -0.9598 -0.1015
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0830 1.3370 1.9313 1.9313
H2 1.0830 1.9861 2.4858 2.4858
F3 1.3370 1.9861 2.6904 2.6904
Br4 1.9313 2.4858 2.6904 3.2111
Br5 1.9313 2.4858 2.6904 3.2111
Maximum atom distance is 3.2111Å 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 109.465 F3 C1 Br5 109.465
Br4 C1 Br5 112.473
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.868 H2 C1 Br4 107.763
H2 C1 Br5 107.763

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