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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

MP3=FULL/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0331 0.3968 0.0000   0.0921 0.3860 0.0331
H2 -0.7949 1.0878 0.0000   0.2526 1.0580 -0.7949
F3 0.0331 -0.1927 1.2470   1.1682 -0.4770 0.0331
F4 0.0331 -0.1927 -1.2470   -1.2577 0.1021 0.0331
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0784 1.3794 1.3794
H2 1.0784 1.9699 1.9699
F3 1.3794 1.9699 2.4941
F4 1.3794 1.9699 2.4941
Maximum atom distance is 2.4941Å 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 129.394
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 105.892 H2 C1 F4 105.892

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