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Geometry for CF3COF (trifluoroacetyl fluoride) 1A' CS

1910171554
InChI=1S/C2F4O/c3-1(7)2(4,5)6 INChIKey=DCEPGADSNJKOJK-UHFFFAOYSA-N

B97D3/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0770 0.5897 0.0000   0.5947 -0.0026 0.0000
C2 -0.3132 -0.9178 0.0000   -0.9514 -0.1875 0.0000
O3 -1.4059 -1.3671 0.0000   -1.5430 -1.2102 0.0000
F4 -1.0205 1.3520 0.0000   1.2032 -1.1922 0.0000
F5 0.8092 0.8755 1.0960   0.9760 0.6847 1.0960
F6 0.8092 0.8755 -1.0960   0.9760 0.6847 -1.0960
F7 0.8092 -1.6691 0.0000   -1.5458 1.0253 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 F4 F5 F6 F7
C1 1.5571 2.4552 1.3363 1.3487 1.3487 2.3745
C2 1.5571 1.1814 2.3774 2.3826 2.3826 1.3507
O3 2.4552 1.1814 2.7463 3.3372 3.3372 2.2355
F4 1.3363 2.3774 2.7463 2.1854 2.1854 3.5320
F5 1.3487 2.3826 3.3372 2.1854 2.1921 2.7706
F6 1.3487 2.3826 3.3372 2.1854 2.1921 2.7706
F7 2.3745 1.3507 2.2355 3.5320 2.7706 2.7706
Maximum atom distance is 3.5320Å between atoms F4 and F7.
picture of trifluoroacetyl fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 126.868 C1 C2 F7 109.285
C2 C1 F4 110.271 C2 C1 F5 109.951
C2 C1 F6 109.951 O3 C2 F7 123.847
F4 C1 F5 108.962 F4 C1 F6 108.962
F5 C1 F6 108.709

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