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

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

QCISD/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5142 -1.1003 0.0000   -1.1443 0.4067 0.0000
F2 -0.5868 -1.8856 0.0000   -1.8209 -0.7642 0.0000
Br3 0.0000 0.7469 0.0000   0.7435 0.0713 0.0000
H4 1.0982 -1.2843 0.9000   -1.3833 0.9706 0.9000
H5 1.0982 -1.2843 -0.9000   -1.3833 0.9706 -0.9000
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.3523 1.9174 1.0886 1.0886
F2 1.3523 2.6970 2.0027 2.0027
Br3 1.9174 2.6970 2.4783 2.4783
H4 1.0886 2.0027 2.4783 1.8000
H5 1.0886 2.0027 2.4783 1.8000
Maximum atom distance is 2.6970Å 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 109.945
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 109.794 F2 C1 H5 109.794
Br3 C1 H4 107.864 Br3 C1 H5 107.864
H4 C1 H5 111.534

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