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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

PBEPBEultrafine/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1020 0.7957 0.0000   -0.3519 0.7136 -0.1020
H2 -1.0247 1.3829 0.0000   -0.6116 1.2403 -1.0247
F3 0.9754 1.6171 0.0000   -0.7152 1.4503 0.9754
Br4 -0.1020 -0.2959 1.6277   1.5907 0.4546 -0.1020
Br5 -0.1020 -0.2959 -1.6277   -1.3290 -0.9853 -0.1020
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0937 1.3548 1.9598 1.9598
H2 1.0937 2.0137 2.5138 2.5138
F3 1.3548 2.0137 2.7331 2.7331
Br4 1.9598 2.5138 2.7331 3.2555
Br5 1.9598 2.5138 2.7331 3.2555
Maximum atom distance is 3.2555Å 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 109.735 F3 C1 Br5 109.735
Br4 C1 Br5 112.308
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.206 H2 C1 Br4 107.399
H2 C1 Br5 107.399

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