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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

PBEPBE/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1034 0.7904 0.0000   -0.3436 0.7118 -0.1034
H2 -1.0184 1.3969 0.0000   -0.6073 1.2580 -1.0184
F3 0.9863 1.5828 0.0000   -0.6881 1.4254 0.9863
Br4 -0.1034 -0.2912 1.5973   1.5651 0.4321 -0.1034
Br5 -0.1034 -0.2912 -1.5973   -1.3119 -0.9567 -0.1034
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0978 1.3473 1.9291 1.9291
H2 1.0978 2.0133 2.4977 2.4977
F3 1.3473 2.0133 2.6927 2.6927
Br4 1.9291 2.4977 2.6927 3.1947
Br5 1.9291 2.4977 2.6927 3.1947
Maximum atom distance is 3.1947Å 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 109.254 F3 C1 Br5 109.254
Br4 C1 Br5 111.792
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.442 H2 C1 Br4 108.045
H2 C1 Br5 108.045

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