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Geometry for CHF2 (difluoromethyl radical) 2A CS

1910171554
InChI=1S/CHF2/c2-1-3/h1H INChIKey=JNCMHMUGTWEVOZ-UHFFFAOYSA-N

CCD/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0302 0.5053 0.0000   0.0000 0.4946 0.1077
H2 -0.7248 1.2901 0.0000   0.0000 1.3863 -0.5174
F3 0.0302 -0.2401 1.0935   1.0935 -0.2419 -0.0071
F4 0.0302 -0.2401 -1.0935   -1.0935 -0.2419 -0.0071
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0890 1.3234 1.3234
H2 1.0890 2.0266 2.0266
F3 1.3234 2.0266 2.1870
F4 1.3234 2.0266 2.1870
Maximum atom distance is 2.1870Å between atoms F3 and F4.
picture of difluoromethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 F4 111.440
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.948 H2 C1 F4 113.948

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