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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0298 0.5017 0.0000   0.0775 0.4957 0.0298
H2 -0.7147 1.2782 0.0000   0.1976 1.2629 -0.7147
F3 0.0298 -0.2382 1.0758   1.0261 -0.4017 0.0298
F4 0.0298 -0.2382 -1.0758   -1.0997 -0.0691 0.0298
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0757 1.3057 1.3057
H2 1.0757 2.0028 2.0028
F3 1.3057 2.0028 2.1516
F4 1.3057 2.0028 2.1516
Maximum atom distance is 2.1516Å 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 110.961
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 114.147 H2 C1 F4 114.147

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