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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

B2PLYP=FULLultrafine/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0306 0.5154 0.0000   0.0802 0.5091 0.0306
H2 -0.7343 1.2875 0.0000   0.2004 1.2718 -0.7343
F3 0.0306 -0.2433 1.1035   1.0522 -0.4121 0.0306
F4 0.0306 -0.2433 -1.1035   -1.1280 -0.0686 0.0306
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.0868 1.3392 1.3392
H2 1.0868 2.0362 2.0362
F3 1.3392 2.0362 2.2071
F4 1.3392 2.0362 2.2071
Maximum atom distance is 2.2071Å 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 110.981
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.734 H2 C1 F4 113.734

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