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

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

B3LYP/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5137 -1.1363 0.0000   -1.0826 0.6188 0.0000
F2 -0.5861 -1.9316 0.0000   -1.9783 -0.4008 0.0000
Br3 0.0000 0.7654 0.0000   0.7619 -0.0724 0.0000
H4 1.0963 -1.2929 0.9075   -1.1834 1.2136 0.9075
H5 1.0963 -1.2929 -0.9075   -1.1834 1.2136 -0.9075
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.3572 1.9698 1.0897 1.0897
F2 1.3572 2.7599 2.0154 2.0154
Br3 1.9698 2.7599 2.5024 2.5024
H4 1.0897 2.0154 2.5024 1.8150
H5 1.0897 2.0154 2.5024 1.8150
Maximum atom distance is 2.7599Å 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 110.755
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 110.429 F2 C1 H5 110.429
Br3 C1 H4 106.149 Br3 C1 H5 106.149
H4 C1 H5 112.769

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