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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

B3PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0304 0.5059 0.0000   0.0780 0.4998 0.0304
H2 -0.7290 1.2917 0.0000   0.1993 1.2762 -0.7290
F3 0.0304 -0.2404 1.1005   1.0503 -0.4073 0.0304
F4 0.0304 -0.2404 -1.1005   -1.1244 -0.0677 0.0304
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0928 1.3297 1.3297
H2 1.0928 2.0335 2.0335
F3 1.3297 2.0335 2.2011
F4 1.3297 2.0335 2.2011
Maximum atom distance is 2.2011Å 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 111.718
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.803 H2 C1 F4 113.803

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