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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

B2PLYP=FULL/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0299 0.5071 0.0000   0.0797 0.5008 0.0299
H2 -0.7173 1.2922 0.0000   0.2031 1.2762 -0.7173
F3 0.0299 -0.2408 1.0952   1.0437 -0.4100 0.0299
F4 0.0299 -0.2408 -1.0952   -1.1194 -0.0657 0.0299
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0839 1.3262 1.3262
H2 1.0839 2.0268 2.0268
F3 1.3262 2.0268 2.1904
F4 1.3262 2.0268 2.1904
Maximum atom distance is 2.1904Å 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 111.342
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 114.112 H2 C1 F4 114.112

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