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Geometry for CH2BrF (Methane, bromofluoro-) 1A' CS

1910171554
InChI=1S/CH2BrF/c2-1-3/h1H2 INChIKey=LHMHCLYDBQOYTO-UHFFFAOYSA-N

TPSSh/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5172 -1.1287 0.0000   -1.1728 0.4076 0.0000
F2 -0.5869 -1.9274 0.0000   -1.8628 -0.7675 0.0000
Br3 0.0000 0.7629 0.0000   0.7595 0.0726 0.0000
H4 1.0892 -1.2916 0.9101   -1.3894 0.9615 0.9101
H5 1.0892 -1.2916 -0.9101   -1.3894 0.9615 -0.9101
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.3627 1.9611 1.0872 1.0872
F2 1.3627 2.7536 2.0104 2.0104
Br3 1.9611 2.7536 2.4972 2.4972
H4 1.0872 2.0104 2.4972 1.8202
H5 1.0872 2.0104 2.4972 1.8202
Maximum atom distance is 2.7536Å between atoms F2 and Br3.
picture of Methane, bromofluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 Br3 110.586
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 109.783 F2 C1 H5 109.783
Br3 C1 H4 106.457 Br3 C1 H5 106.457
H4 C1 H5 113.673

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