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Geometry for CHFCl (Chlorofluoromethyl radical) 1A C1

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

B3LYP/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5441 0.5466 -0.1294   0.5339 0.5643 -0.0901
H2 0.7225 1.5013 0.3494   0.6928 1.4876 0.4528
F3 1.5264 -0.3397 0.0266   1.5325 -0.3117 0.0093
Cl4 -1.0426 -0.1014 0.0110   -1.0405 -0.1216 0.0002
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4
C1 1.0828 1.3321 1.7197
H2 1.0828 2.0345 2.4081
F3 1.3321 2.0345 2.5800
Cl4 1.7197 2.4081 2.5800
Maximum atom distance is 2.5800Å 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 114.842
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 114.414 H2 C1 Cl4 116.622

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