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Geometry for CHFCl (Chlorofluoromethyl radical) 1A C1

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

PBEPBEultrafine/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5510 0.5465 -0.1353   0.5408 0.5650 -0.0942
H2 0.7167 1.5090 0.3643   0.6869 1.4926 0.4729
F3 1.5282 -0.3408 0.0282   1.5343 -0.3131 0.0100
Cl4 -1.0457 -0.1012 0.0114   -1.0436 -0.1214 0.0001
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4
C1 1.0970 1.3300 1.7292
H2 1.0970 2.0477 2.4131
F3 1.3300 2.0477 2.5850
Cl4 1.7292 2.4131 2.5850
Maximum atom distance is 2.5850Å 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 114.714
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 114.727 H2 C1 Cl4 115.434

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