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

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

PBE1PBE/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5096 -1.1203 0.0000   -1.0666 0.6141 0.0000
F2 -0.5827 -1.9126 0.0000   -1.9595 -0.3976 0.0000
Br3 0.0000 0.7572 0.0000   0.7537 -0.0722 0.0000
H4 1.0934 -1.2828 0.9061   -1.1726 1.2108 0.9061
H5 1.0934 -1.2828 -0.9061   -1.1726 1.2108 -0.9061
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.3494 1.9454 1.0901 1.0901
F2 1.3494 2.7327 2.0067 2.0067
Br3 1.9454 2.7327 2.4856 2.4856
H4 1.0901 2.0067 2.4856 1.8123
H5 1.0901 2.0067 2.4856 1.8123
Maximum atom distance is 2.7327Å 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 110.771
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 110.243 F2 C1 H5 110.243
Br3 C1 H4 106.505 Br3 C1 H5 106.505
H4 C1 H5 112.456

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