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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

B97D3/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1013 0.8010 0.0000   -0.3440 0.7234 -0.1013
H2 -1.0236 1.3795 0.0000   -0.5924 1.2458 -1.0236
F3 0.9693 1.6232 0.0000   -0.6970 1.4659 0.9693
Br4 -0.1013 -0.2971 1.6364   1.6054 0.4345 -0.1013
Br5 -0.1013 -0.2971 -1.6364   -1.3503 -0.9710 -0.1013
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0887 1.3499 1.9707 1.9707
H2 1.0887 2.0078 2.5178 2.5178
F3 1.3499 2.0078 2.7407 2.7407
Br4 1.9707 2.5178 2.7407 3.2728
Br5 1.9707 2.5178 2.7407 3.2728
Maximum atom distance is 3.2728Å 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 109.838 F3 C1 Br5 109.838
Br4 C1 Br5 112.276
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.380 H2 C1 Br4 107.222
H2 C1 Br5 107.222

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