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

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

B97D3/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5238 -1.1341 0.0000   -1.0789 0.6297 0.0000
F2 -0.5927 -1.9436 0.0000   -1.9913 -0.4043 0.0000
Br3 0.0000 0.7688 0.0000   0.7653 -0.0735 0.0000
H4 1.0956 -1.3057 0.9216   -1.1950 1.2153 0.9216
H5 1.0956 -1.3057 -0.9216   -1.1950 1.2153 -0.9216
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.3790 1.9737 1.0980 1.0980
F2 1.3790 2.7764 2.0264 2.0264
Br3 1.9737 2.7764 2.5206 2.5206
H4 1.0980 2.0264 2.5206 1.8431
H5 1.0980 2.0264 2.5206 1.8431
Maximum atom distance is 2.7764Å 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 110.555
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 109.262 F2 C1 H5 109.262
Br3 C1 H4 106.789 Br3 C1 H5 106.789
H4 C1 H5 114.129

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