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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

PBEPBEultrafine/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1017 0.8006 0.0000   -0.3546 0.7177 -0.1017
H2 -1.0395 1.3847 0.0000   -0.6134 1.2414 -1.0395
F3 0.9745 1.6181 0.0000   -0.7167 1.4507 0.9745
Br4 -0.1017 -0.2964 1.6277   1.5906 0.4552 -0.1017
Br5 -0.1017 -0.2964 -1.6277   -1.3280 -0.9868 -0.1017
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.1048 1.3515 1.9628 1.9628
H2 1.1048 2.0274 2.5209 2.5209
F3 1.3515 2.0274 2.7337 2.7337
Br4 1.9628 2.5209 2.7337 3.2554
Br5 1.9628 2.5209 2.7337 3.2554
Maximum atom distance is 3.2554Å 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 109.759 F3 C1 Br5 109.759
Br4 C1 Br5 112.043
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.858 H2 C1 Br4 107.187
H2 C1 Br5 107.187

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