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Geometry for CF3OF (Trifluoromethylhypofluorite) 1A' CS

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

B1B95/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3208 0.1969 0.0000   -0.3762 0.0130 0.0000
O2 -1.0580 0.3333 0.0000   0.6979 -0.8621 0.0000
F3 -1.5434 -0.9929 0.0000   1.8350 -0.0247 0.0000
F4 0.7567 1.4458 0.0000   -1.4293 -0.7874 0.0000
F5 0.7567 -0.4402 1.0749   -0.3877 0.7849 1.0749
F6 0.7567 -0.4402 -1.0749   -0.3877 0.7849 -1.0749
Atom - Atom Distances (Å)
  C1 O2 F3 F4 F5 F6
C1 1.3855 2.2116 1.3227 1.3234 1.3234
O2 1.3855 1.4123 2.1285 2.2464 2.2464
F3 2.2116 1.4123 3.3522 2.5983 2.5983
F4 1.3227 2.1285 3.3522 2.1708 2.1708
F5 1.3234 2.2464 2.5983 2.1708 2.1498
F6 1.3234 2.2464 2.5983 2.1708 2.1498
Maximum atom distance is 3.3522Å 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 104.458 O2 C1 F4 103.591
O2 C1 F5 112.032 O2 C1 F6 112.032
F4 C1 F5 110.247 F4 C1 F6 110.247
F5 C1 F6 108.629

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