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

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

QCISD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5148 -1.1213 0.0000   -1.1654 0.4054 0.0000
F2 -0.5884 -1.9204 0.0000   -1.8554 -0.7692 0.0000
Br3 0.0000 0.7600 0.0000   0.7565 0.0726 0.0000
H4 1.1034 -1.2938 0.9130   -1.3933 0.9748 0.9130
H5 1.1034 -1.2938 -0.9130   -1.3933 0.9748 -0.9130
Atom - Atom Distances (Å)
  C1 F2 Br3 H4 H5
C1 1.3622 1.9505 1.0999 1.0999
F2 1.3622 2.7442 2.0220 2.0220
Br3 1.9505 2.7442 2.5038 2.5038
H4 1.0999 2.0220 2.5038 1.8260
H5 1.0999 2.0220 2.5038 1.8260
Maximum atom distance is 2.7442Å 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 110.609
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 H4 109.964 F2 C1 H5 109.964
Br3 C1 H4 107.006 Br3 C1 H5 107.006
H4 C1 H5 112.217

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