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Geometry for CF3OF (Trifluoromethylhypofluorite) 1A' CS

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

CBS-Q


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3177 0.1971 0.0000   0.3738 -0.0060 0.0000
O2 -1.0449 0.3037 0.0000   -0.7148 0.8204 0.0000
F3 -1.5183 -0.9703 0.0000   -1.8018 0.0046 0.0000
F4 0.7451 1.4217 0.0000   1.3954 0.7932 0.0000
F5 0.7451 -0.4264 1.0565   0.3963 -0.7615 1.0565
F6 0.7451 -0.4264 -1.0565   0.3963 -0.7615 -1.0565
Atom - Atom Distances (Å)
  C1 O2 F3 F4 F5 F6
C1 1.3668 2.1757 1.2970 1.2991 1.2991
O2 1.3668 1.3591 2.1104 2.2030 2.2030
F3 2.1757 1.3591 3.2931 2.5563 2.5563
F4 1.2970 2.1104 3.2931 2.1288 2.1288
F5 1.2991 2.2030 2.5563 2.1288 2.1131
F6 1.2991 2.2030 2.5563 2.1288 2.1131
Maximum atom distance is 3.2931Å 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 105.908 O2 C1 F4 104.762
O2 C1 F5 111.433 O2 C1 F6 111.433
F4 C1 F5 110.167 F4 C1 F6 110.167
F5 C1 F6 108.837

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