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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

HF/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0300 0.5029 0.0000   0.0000 0.4923 0.1068
H2 -0.7199 1.2750 0.0000   0.0000 1.3704 -0.5157
F3 0.0300 -0.2385 1.0792   1.0792 -0.2402 -0.0069
F4 0.0300 -0.2385 -1.0792   -1.0792 -0.2402 -0.0069
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0763 1.3092 1.3092
H2 1.0763 2.0043 2.0043
F3 1.3092 2.0043 2.1583
F4 1.3092 2.0043 2.1583
Maximum atom distance is 2.1583Å 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 111.028
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.965 H2 C1 F4 113.965

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