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Geometry for CHBr2F (dibromofluoromethane) 1A' CS

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

QCISD/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1024 0.7841 0.0000   -0.3436 0.7049 -0.1024
H2 -1.0051 1.3825 0.0000   -0.6057 1.2428 -1.0051
F3 0.9767 1.5931 0.0000   -0.6980 1.4320 0.9767
Br4 -0.1024 -0.2918 1.6137   1.5784 0.4447 -0.1024
Br5 -0.1024 -0.2918 -1.6137   -1.3227 -0.9693 -0.1024
Atom - Atom Distances (Å)
  C1 H2 F3 Br4 Br5
C1 1.0830 1.3487 1.9395 1.9395
H2 1.0830 1.9930 2.4944 2.4944
F3 1.3487 1.9930 2.7058 2.7058
Br4 1.9395 2.4944 2.7058 3.2274
Br5 1.9395 2.4944 2.7058 3.2274
Maximum atom distance is 3.2274Å 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 109.435 F3 C1 Br5 109.435
Br4 C1 Br5 112.613
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.604 H2 C1 Br4 107.850
H2 C1 Br5 107.850

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