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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

mPW1PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1020 0.7975 0.0000   -0.3494 0.7170 -0.1020
H2 -1.0144 1.3860 0.0000   -0.6071 1.2460 -1.0144
F3 0.9737 1.5939 0.0000   -0.6982 1.4328 0.9737
Br4 -0.1020 -0.2931 1.5980   1.5649 0.4365 -0.1020
Br5 -0.1020 -0.2931 -1.5980   -1.3082 -0.9635 -0.1020
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0858 1.3383 1.9347 1.9347
H2 1.0858 1.9989 2.4911 2.4911
F3 1.3383 1.9989 2.6965 2.6965
Br4 1.9347 2.4911 2.6965 3.1961
Br5 1.9347 2.4911 2.6965 3.1961
Maximum atom distance is 3.1961Å 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 109.598 F3 C1 Br5 109.598
Br4 C1 Br5 111.374
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.668 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.