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Geometry for CF3Cl (Methane, chlorotrifluoro-) 1A1 C3V

1910171554
InChI=1S/CClF3/c2-1(3,4)5 INChIKey=AFYPFACVUDMOHA-UHFFFAOYSA-N

B2PLYP/3-21G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -0.4059   -0.4059 0.0000 0.0000
Cl2 0.0000 0.0000 1.4804   1.4804 0.0000 0.0000
F3 0.0000 1.2776 -0.8419   -0.8419 -0.1901 1.2634
F4 1.1064 -0.6388 -0.8419   -0.8419 1.1892 -0.4670
F5 -1.1064 -0.6388 -0.8419   -0.8419 -0.9991 -0.7963
Atom - Atom Distances (Å)
  C1 Cl2 F3 F4 F5
C1 1.8863 1.3499 1.3499 1.3499
Cl2 1.8863 2.6506 2.6506 2.6506
F3 1.3499 2.6506 2.2129 2.2129
F4 1.3499 2.6506 2.2129 2.2129
F5 1.3499 2.6506 2.2129 2.2129
Maximum atom distance is 2.6506Å between atoms Cl2 and F4.
picture of Methane, chlorotrifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 C1 F3 108.843 Cl2 C1 F4 108.843
Cl2 C1 F5 108.843 F3 C1 F4 110.093
F3 C1 F5 110.093 F4 C1 F5 110.093

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