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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

BLYP/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0305 0.5173 0.0000   0.0802 0.5110 0.0305
H2 -0.7328 1.3026 0.0000   0.2020 1.2868 -0.7328
F3 0.0305 -0.2448 1.1121   1.0607 -0.4143 0.0305
F4 0.0305 -0.2448 -1.1121   -1.1366 -0.0693 0.0305
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0952 1.3481 1.3481
H2 1.0952 2.0528 2.0528
F3 1.3481 2.0528 2.2242
F4 1.3481 2.0528 2.2242
Maximum atom distance is 2.2242Å 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 111.157
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.912 H2 C1 F4 113.912

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