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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

CCSD(T)=FULL/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0307 0.5197 0.0000   0.0000 0.5090 0.1091
H2 -0.7372 1.3060 0.0000   0.0000 1.4027 -0.5308
F3 0.0307 -0.2458 1.1090   1.1090 -0.2476 -0.0069
F4 0.0307 -0.2458 -1.1090   -1.1090 -0.2476 -0.0069
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0991 1.3475 1.3475
H2 1.0991 2.0561 2.0561
F3 1.3475 2.0561 2.2180
F4 1.3475 2.0561 2.2180
Maximum atom distance is 2.2180Å 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 110.768
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.980 H2 C1 F4 113.980

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