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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

CCSD(T)/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1034 0.7833 0.0000   -0.3512 0.7002 -0.1034
H2 -1.0038 1.3867 0.0000   -0.6217 1.2395 -1.0038
F3 0.9846 1.5869 0.0000   -0.7115 1.4185 0.9846
Br4 -0.1034 -0.2910 1.5975   1.5585 0.4561 -0.1034
Br5 -0.1034 -0.2910 -1.5975   -1.2975 -0.9763 -0.1034
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0839 1.3526 1.9252 1.9252
H2 1.0839 1.9985 2.4855 2.4855
F3 1.3526 1.9985 2.6949 2.6949
Br4 1.9252 2.4855 2.6949 3.1951
Br5 1.9252 2.4855 2.6949 3.1951
Maximum atom distance is 3.1951Å 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 109.363 F3 C1 Br5 109.363
Br4 C1 Br5 112.161
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.722 H2 C1 Br4 108.098
H2 C1 Br5 108.098

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