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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

CCSD(T)/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0301 0.5076 0.0000   0.0801 0.5013 0.0301
H2 -0.7233 1.2911 0.0000   0.2038 1.2749 -0.7233
F3 0.0301 -0.2409 1.0949   1.0431 -0.4107 0.0301
F4 0.0301 -0.2409 -1.0949   -1.1192 -0.0651 0.0301
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0870 1.3263 1.3263
H2 1.0870 2.0282 2.0282
F3 1.3263 2.0282 2.1898
F4 1.3263 2.0282 2.1898
Maximum atom distance is 2.1898Å 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 111.278
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 114.004 H2 C1 F4 114.004

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