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Geometry for CHFCl (Chlorofluoromethyl radical) 1A C1

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

M06-2X/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5469 0.5499 -0.1339   -0.5567 0.5482 -0.0949
H2 0.7218 1.4953 0.3648   -0.7497 1.4513 0.4710
F3 1.5133 -0.3423 0.0275   -1.5067 -0.3709 -0.0019
Cl4 -1.0366 -0.1009 0.0112   1.0383 -0.0825 0.0068
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4
C1 1.0831 1.3251 1.7182
H2 1.0831 2.0290 2.4010
F3 1.3251 2.0290 2.5613
Cl4 1.7182 2.4010 2.5613
Maximum atom distance is 2.5613Å 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 114.005
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 114.452 H2 C1 Cl4 116.138

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