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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

B1B95/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0305 0.5057 0.0000   0.0000 0.4949 0.1086
H2 -0.7309 1.2869 0.0000   0.0000 1.3848 -0.5224
F3 0.0305 -0.2401 1.0947   1.0947 -0.2419 -0.0072
F4 0.0305 -0.2401 -1.0947   -1.0947 -0.2419 -0.0072
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0909 1.3246 1.3246
H2 1.0909 2.0273 2.0273
F3 1.3246 2.0273 2.1894
F4 1.3246 2.0273 2.1894
Maximum atom distance is 2.1894Å 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 111.468
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.779 H2 C1 F4 113.779

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