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Geometry for CHFCl (Chlorofluoromethyl radical) 1A C1

1910171554
InChI=1S/CHClF/c2-1-3/h1H INChIKey=FICFQLDYKDCJHQ-UHFFFAOYSA-N

CCD/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5470 0.5488 -0.1330   0.5366 0.5671 -0.0923
H2 0.7308 1.4930 0.3621   0.7008 1.4779 0.4679
F3 1.5212 -0.3415 0.0271   1.5275 -0.3134 0.0093
Cl4 -1.0414 -0.1007 0.0113   -1.0393 -0.1212 0.0001
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4
C1 1.0818 1.3294 1.7222
H2 1.0818 2.0254 2.4091
F3 1.3294 2.0254 2.5740
Cl4 1.7222 2.4091 2.5740
Maximum atom distance is 2.5740Å between atoms F3 and Cl4.
picture of Chlorofluoromethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 Cl4 114.406
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 113.884 H2 C1 Cl4 116.589

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