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Geometry for CHFCl (Chlorofluoromethyl radical) 1A C1

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

PBE1PBE/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5985 0.5573 -0.1483   0.5887 0.5777 -0.1024
H2 0.7209 1.5148 0.4067   0.6923 1.4914 0.5254
F3 1.5741 -0.3497 0.0319   1.5801 -0.3230 0.0111
Cl4 -1.0870 -0.1007 0.0115   -1.0850 -0.1206 -0.0006
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4
C1 1.1135 1.3442 1.8165
H2 1.1135 2.0844 2.4565
F3 1.3442 2.0844 2.6728
Cl4 1.8165 2.4565 2.6728
Maximum atom distance is 2.6728Å 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 114.660
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 115.698 H2 C1 Cl4 111.693

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