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Geometry for CF3OF (Trifluoromethylhypofluorite) 1A' CS

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

MP2/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3218 0.2000 0.0000   0.3788 -0.0100 0.0000
O2 -1.0627 0.3413 0.0000   -0.6996 0.8697 0.0000
F3 -1.5458 -1.0116 0.0000   -1.8473 0.0057 0.0000
F4 0.7586 1.4524 0.0000   1.4326 0.7955 0.0000
F5 0.7586 -0.4388 1.0779   0.3921 -0.7838 1.0779
F6 0.7586 -0.4388 -1.0779   0.3921 -0.7838 -1.0779
Atom - Atom Distances (Å)
  C1 O2 F3 F4 F5 F6
C1 1.3917 2.2262 1.3264 1.3269 1.3269
O2 1.3917 1.4365 2.1335 2.2556 2.2556
F3 2.2262 1.4365 3.3737 2.6077 2.6077
F4 1.3264 2.1335 3.3737 2.1768 2.1768
F5 1.3269 2.2556 2.6077 2.1768 2.1557
F6 1.3269 2.2556 2.6077 2.1768 2.1557
Maximum atom distance is 3.3737Å 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 103.824 O2 C1 F4 103.401
O2 C1 F5 112.110 O2 C1 F6 112.110
F4 C1 F5 110.254 F4 C1 F6 110.254
F5 C1 F6 108.643

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