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Geometry for CF3OF (Trifluoromethylhypofluorite) 1A' CS

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

MP2/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3202 0.2002 0.0000   0.3774 -0.0117 0.0000
O2 -1.0604 0.3357 0.0000   -0.6946 0.8687 0.0000
F3 -1.5174 -1.0067 0.0000   -1.8210 0.0072 0.0000
F4 0.7488 1.4433 0.0000   1.4250 0.7831 0.0000
F5 0.7488 -0.4342 1.0694   0.3809 -0.7773 1.0694
F6 0.7488 -0.4342 -1.0694   0.3809 -0.7773 -1.0694
Atom - Atom Distances (Å)
  C1 O2 F3 F4 F5 F6
C1 1.3871 2.1985 1.3149 1.3152 1.3152
O2 1.3871 1.4180 2.1213 2.2382 2.2382
F3 2.1985 1.4180 3.3374 2.5704 2.5704
F4 1.3149 2.1213 3.3374 2.1607 2.1607
F5 1.3152 2.2382 2.5704 2.1607 2.1388
F6 1.3152 2.2382 2.5704 2.1607 2.1388
Maximum atom distance is 3.3374Å 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 103.200 O2 C1 F4 103.423
O2 C1 F5 111.806 O2 C1 F6 111.806
F4 C1 F5 110.474 F4 C1 F6 110.474
F5 C1 F6 108.795

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