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

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

HF/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5088 -1.1167 0.0000   -1.0636 0.6120 0.0000
F2 -0.5789 -1.8911 0.0000   -1.9373 -0.3977 0.0000
Br3 0.0000 0.7515 0.0000   0.7481 -0.0710 0.0000
H4 1.0787 -1.2907 0.8942   -1.1830 1.1958 0.8942
H5 1.0787 -1.2907 -0.8942   -1.1830 1.1958 -0.8942
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.3353 1.9362 1.0745 1.0745
F2 1.3353 2.7053 1.9768 1.9768
Br3 1.9362 2.7053 2.4766 2.4766
H4 1.0745 1.9768 2.4766 1.7883
H5 1.0745 1.9768 2.4766 1.7883
Maximum atom distance is 2.7053Å 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 110.214
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 109.762 F2 C1 H5 109.762
Br3 C1 H4 107.195 Br3 C1 H5 107.195
H4 C1 H5 112.644

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