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

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

QCISD/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5355 -1.1716 0.0000   -1.2169 0.4227 0.0000
F2 -0.6063 -1.9872 0.0000   -1.9211 -0.7910 0.0000
Br3 0.0000 0.7875 0.0000   0.7840 0.0743 0.0000
H4 1.1219 -1.3244 0.9058   -1.4243 0.9920 0.9058
H5 1.1219 -1.3244 -0.9058   -1.4243 0.9920 -0.9058
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.4032 2.0309 1.0898 1.0898
F2 1.4032 2.8401 2.0608 2.0608
Br3 2.0309 2.8401 2.5572 2.5572
H4 1.0898 2.0608 2.5572 1.8117
H5 1.0898 2.0608 2.5572 1.8117
Maximum atom distance is 2.8401Å 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 110.248
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 110.876 F2 C1 H5 110.876
Br3 C1 H4 106.089 Br3 C1 H5 106.089
H4 C1 H5 112.436

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