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Geometry for CF3OF (Trifluoromethylhypofluorite) 1A' CS

1910171554
InChI=1S/CF4O/c2-1(3,4)6-5 INChIKey=SMBZJSVIKJMSFP-UHFFFAOYSA-N

B1B95/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3210 0.1983 0.0000   0.3772 -0.0102 0.0000
O2 -1.0569 0.3268 0.0000   -0.7045 0.8529 0.0000
F3 -1.5215 -0.9906 0.0000   -1.8156 0.0062 0.0000
F4 0.7490 1.4380 0.0000   1.4150 0.7916 0.0000
F5 0.7490 -0.4350 1.0668   0.3877 -0.7746 1.0668
F6 0.7490 -0.4350 -1.0668   0.3877 -0.7746 -1.0668
Atom - Atom Distances (Å)
  C1 O2 F3 F4 F5 F6
C1 1.3839 2.1929 1.3115 1.3124 1.3124
O2 1.3839 1.3969 2.1204 2.2315 2.2315
F3 2.1929 1.3969 3.3247 2.5695 2.5695
F4 1.3115 2.1204 3.3247 2.1555 2.1555
F5 1.3124 2.2315 2.5695 2.1555 2.1336
F6 1.3124 2.2315 2.5695 2.1555 2.1336
Maximum atom distance is 3.3247Å between atoms F3 and F4.
picture of Trifluoromethylhypofluorite
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 F3 104.102 O2 C1 F4 103.721
O2 C1 F5 111.685 O2 C1 F6 111.685
F4 C1 F5 110.471 F4 C1 F6 110.471
F5 C1 F6 108.754

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