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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

MP3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0303 0.5104 0.0000   0.0000 0.4998 0.1079
H2 -0.7274 1.2932 0.0000   0.0000 1.3891 -0.5215
F3 0.0303 -0.2420 1.1005   1.1005 -0.2438 -0.0070
F4 0.0303 -0.2420 -1.1005   -1.1005 -0.2438 -0.0070
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0894 1.3331 1.3331
H2 1.0894 2.0352 2.0352
F3 1.3331 2.0352 2.2009
F4 1.3331 2.0352 2.2009
Maximum atom distance is 2.2009Å 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 111.275
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.925 H2 C1 F4 113.925

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