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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

PBEPBE/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0309 0.5128 0.0000   0.0832 0.5060 0.0309
H2 -0.7419 1.2960 0.0000   0.2102 1.2788 -0.7419
F3 0.0309 -0.2429 1.1080   1.0539 -0.4194 0.0309
F4 0.0309 -0.2429 -1.1080   -1.1327 -0.0600 0.0309
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.1003 1.3412 1.3412
H2 1.1003 2.0477 2.0477
F3 1.3412 2.0477 2.2159
F4 1.3412 2.0477 2.2159
Maximum atom distance is 2.2159Å 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 111.402
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.648 H2 C1 F4 113.648

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