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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

B2PLYP=FULL/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0876 0.6257 0.0000   0.6317 0.0004 0.0000
C2 -0.2961 -0.9742 0.0000   -1.0057 -0.1588 0.0000
O3 -1.4501 -1.4493 0.0000   -1.6356 -1.2361 0.0000
F4 -1.0829 1.3795 0.0000   1.2168 -1.2630 0.0000
F5 0.8370 0.9477 1.1332   1.0542 0.6981 1.1332
F6 0.8370 0.9477 -1.1332   1.0542 0.6981 -1.1332
F7 0.8370 -1.7543 0.0000   -1.6220 1.0711 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 F4 F5 F6 F7
C1 1.6452 2.5826 1.3922 1.3962 1.3962 2.4952
C2 1.6452 1.2480 2.4817 2.5023 2.5023 1.3757
O3 2.5826 1.2480 2.8526 3.5015 3.5015 2.3073
F4 1.3922 2.4817 2.8526 2.2707 2.2707 3.6751
F5 1.3962 2.5023 3.5015 2.2707 2.2663 2.9300
F6 1.3962 2.5023 3.5015 2.2707 2.2663 2.9300
F7 2.4952 1.3757 2.3073 3.6751 2.9300 2.9300
Maximum atom distance is 3.6751Å 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 125.865 C1 C2 F7 111.063
C2 C1 F4 109.299 C2 C1 F5 110.456
C2 C1 F6 110.456 O3 C2 F7 123.073
F4 C1 F5 109.046 F4 C1 F6 109.046
F5 C1 F6 108.506

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