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Geometry for CHF2 (difluoromethyl radical) 2A CS

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

B1B95/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0309 0.5163 0.0000   0.0813 0.5098 0.0309
H2 -0.7423 1.3282 0.0000   0.2091 1.3117 -0.7423
F3 0.0309 -0.2459 1.1333   1.0805 -0.4212 0.0309
F4 0.0309 -0.2459 -1.1333   -1.1579 -0.0644 0.0309
Atom - Atom Distances (Å)
  C1 H2 F3 F4
C1 1.1212 1.3658 1.3658
H2 1.1212 2.0881 2.0881
F3 1.3658 2.0881 2.2667
F4 1.3658 2.0881 2.2667
Maximum atom distance is 2.2667Å 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 112.159
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.836 H2 C1 F4 113.836

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