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

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

MP3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5196 -1.1246 0.0000   -1.1681 0.4124 0.0000
F2 -0.5900 -1.9170 0.0000   -1.8536 -0.7662 0.0000
Br3 0.0000 0.7598 0.0000   0.7565 0.0709 0.0000
H4 1.0963 -1.2963 0.9058   -1.3929 0.9706 0.9058
H5 1.0963 -1.2963 -0.9058   -1.3929 0.9706 -0.9058
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.3635 1.9547 1.0875 1.0875
F2 1.3635 2.7411 2.0123 2.0123
Br3 1.9547 2.7411 2.5000 2.5000
H4 1.0875 2.0123 2.5000 1.8116
H5 1.0875 2.0123 2.5000 1.8116
Maximum atom distance is 2.7411Å 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 110.120
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 109.866 F2 C1 H5 109.866
Br3 C1 H4 107.049 Br3 C1 H5 107.049
H4 C1 H5 112.802

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