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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

B2PLYP/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0295 0.5246 0.0000   0.0762 0.5190 0.0295
H2 -0.7078 1.3213 0.0000   0.1919 1.3073 -0.7078
F3 0.0295 -0.2483 1.1422   1.0940 -0.4115 0.0295
F4 0.0295 -0.2483 -1.1422   -1.1662 -0.0797 0.0295
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0855 1.3791 1.3791
H2 1.0855 2.0765 2.0765
F3 1.3791 2.0765 2.2844
F4 1.3791 2.0765 2.2844
Maximum atom distance is 2.2844Å 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 111.833
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 114.288 H2 C1 F4 114.288

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