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Geometry for CF3OF (Trifluoromethylhypofluorite) 1A' CS

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

CCSD(T)/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3217 0.2038 0.0000   -0.3806 0.0145 0.0000
O2 -1.0653 0.3427 0.0000   0.6832 -0.8863 0.0000
F3 -1.5438 -1.0305 0.0000   1.8560 -0.0264 0.0000
F4 0.7588 1.4577 0.0000   -1.4515 -0.7706 0.0000
F5 0.7588 -0.4339 1.0787   -0.3790 0.7876 1.0787
F6 0.7588 -0.4339 -1.0787   -0.3790 0.7876 -1.0787
Atom - Atom Distances (Å)
  C1 O2 F3 F4 F5 F6
C1 1.3940 2.2369 1.3279 1.3271 1.3271
O2 1.3940 1.4542 2.1379 2.2569 2.2569
F3 2.2369 1.4542 3.3902 2.6118 2.6118
F4 1.3279 2.1379 3.3902 2.1775 2.1775
F5 1.3271 2.2569 2.6118 2.1775 2.1573
F6 1.3271 2.2569 2.6118 2.1775 2.1573
Maximum atom distance is 3.3902Å 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 103.492 O2 C1 F4 103.497
O2 C1 F5 112.060 O2 C1 F6 112.060
F4 C1 F5 110.202 F4 C1 F6 110.202
F5 C1 F6 108.742

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