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

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

MP2/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5138 -1.1154 0.0000   -1.1596 0.4043 0.0000
F2 -0.5874 -1.9176 0.0000   -1.8523 -0.7689 0.0000
Br3 0.0000 0.7578 0.0000   0.7543 0.0728 0.0000
H4 1.1021 -1.2854 0.9119   -1.3853 0.9735 0.9119
H5 1.1021 -1.2854 -0.9119   -1.3853 0.9735 -0.9119
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.3625 1.9423 1.0984 1.0984
F2 1.3625 2.7391 2.0213 2.0213
Br3 1.9423 2.7391 2.4941 2.4941
H4 1.0984 2.0213 2.4941 1.8237
H5 1.0984 2.0213 2.4941 1.8237
Maximum atom distance is 2.7391Å 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 110.735
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 109.986 F2 C1 H5 109.986
Br3 C1 H4 106.913 Br3 C1 H5 106.913
H4 C1 H5 112.230

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