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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

CCSD/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0300 0.5030 0.0000   0.0776 0.4970 0.0300
H2 -0.7201 1.2924 0.0000   0.1993 1.2770 -0.7201
F3 0.0300 -0.2395 1.0903   1.0403 -0.4047 0.0300
F4 0.0300 -0.2395 -1.0903   -1.1142 -0.0685 0.0300
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0890 1.3191 1.3191
H2 1.0890 2.0244 2.0244
F3 1.3191 2.0244 2.1806
F4 1.3191 2.0244 2.1806
Maximum atom distance is 2.1806Å 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 111.487
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 114.082 H2 C1 F4 114.082

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