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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

B3LYP/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1019 0.7920 0.0000   -0.3334 0.7184 -0.1019
H2 -1.0144 1.3779 0.0000   -0.5799 1.2499 -1.0144
F3 0.9729 1.6003 0.0000   -0.6736 1.4517 0.9729
Br4 -0.1019 -0.2933 1.6290   1.6012 0.4196 -0.1019
Br5 -0.1019 -0.2933 -1.6290   -1.3542 -0.9517 -0.1019
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0844 1.3448 1.9575 1.9575
H2 1.0844 1.9997 2.5059 2.5059
F3 1.3448 1.9997 2.7193 2.7193
Br4 1.9575 2.5059 2.7193 3.2581
Br5 1.9575 2.5059 2.7193 3.2581
Maximum atom distance is 3.2581Å 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 109.467 F3 C1 Br5 109.467
Br4 C1 Br5 112.653
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.353 H2 C1 Br4 107.430
H2 C1 Br5 107.430

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