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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

B3LYP/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1046 0.8110 0.0000   -0.3513 0.7309 -0.1046
H2 -1.0293 1.3805 0.0000   -0.5980 1.2442 -1.0293
F3 0.9977 1.6443 0.0000   -0.7122 1.4820 0.9977
Br4 -0.1046 -0.3006 1.6033   1.5753 0.4235 -0.1046
Br5 -0.1046 -0.3006 -1.6033   -1.3148 -0.9654 -0.1046
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0860 1.3818 1.9509 1.9509
H2 1.0860 2.0441 2.5003 2.5003
F3 1.3818 2.0441 2.7510 2.7510
Br4 1.9509 2.5003 2.7510 3.2065
Br5 1.9509 2.5003 2.7510 3.2065
Maximum atom distance is 3.2065Å 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 110.097 F3 C1 Br5 110.097
Br4 C1 Br5 110.530
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 111.283 H2 C1 Br4 107.385
H2 C1 Br5 107.385

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