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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0312 0.5132 0.0000   0.0000 0.5020 0.1112
H2 -0.7480 1.3060 0.0000   0.0000 1.4070 -0.5342
F3 0.0312 -0.2436 1.1097   1.1097 -0.2455 -0.0074
F4 0.0312 -0.2436 -1.1097   -1.1097 -0.2455 -0.0074
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.1115 1.3432 1.3432
H2 1.1115 2.0591 2.0591
F3 1.3432 2.0591 2.2194
F4 1.3432 2.0591 2.2194
Maximum atom distance is 2.2194Å 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 111.410
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.694 H2 C1 F4 113.694

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