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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

MP2/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1024 0.7816 0.0000   -0.3363 0.7056 -0.1024
H2 -1.0094 1.3794 0.0000   -0.5935 1.2451 -1.0094
F3 0.9767 1.5906 0.0000   -0.6844 1.4358 0.9767
Br4 -0.1024 -0.2912 1.6071   1.5760 0.4287 -0.1024
Br5 -0.1024 -0.2912 -1.6071   -1.3254 -0.9544 -0.1024
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0863 1.3487 1.9323 1.9323
H2 1.0863 1.9973 2.4893 2.4893
F3 1.3487 1.9973 2.6998 2.6998
Br4 1.9323 2.4893 2.6998 3.2143
Br5 1.9323 2.4893 2.6998 3.2143
Maximum atom distance is 3.2143Å 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 109.453 F3 C1 Br5 109.453
Br4 C1 Br5 112.550
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.755 H2 C1 Br4 107.789
H2 C1 Br5 107.789

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