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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

B3LYPultrafine/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0307 0.5089 0.0000   0.0786 0.5028 0.0307
H2 -0.7360 1.2846 0.0000   0.1983 1.2692 -0.7360
F3 0.0307 -0.2410 1.1005   1.0501 -0.4080 0.0307
F4 0.0307 -0.2410 -1.1005   -1.1245 -0.0682 0.0307
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0906 1.3317 1.3317
H2 1.0906 2.0313 2.0313
F3 1.3317 2.0313 2.2010
F4 1.3317 2.0313 2.2010
Maximum atom distance is 2.2010Å 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 111.460
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.609 H2 C1 F4 113.609

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