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Geometry for C3F6 (hexafluoropropene) 1A' CS

1910171554
InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9 INChIKey=HCDGVLDPFQMKDK-UHFFFAOYSA-N

HF/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0285 1.4265 0.0000   1.4114 -0.2091 0.0000
C2 -0.4937 0.1903 0.0000   0.1262 -0.5139 0.0000
C3 0.2790 -1.1022 0.0000   -1.0579 0.4165 0.0000
F4 -0.8220 2.5014 0.0000   2.3770 -1.1325 0.0000
F5 1.2608 1.7732 0.0000   1.9187 1.0258 0.0000
F6 -1.8455 -0.0117 0.0000   -0.2456 -1.8291 0.0000
F7 1.6259 -0.8963 0.0000   -0.6829 1.7264 0.0000
F8 -0.0285 -1.8548 1.0993   -1.8435 0.2069 1.0993
F9 -0.0285 -1.8548 -1.0993   -1.8435 0.2069 -1.0993
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7 F8 F9
C1 1.3209 2.5474 1.3361 1.3351 2.3173 2.8518 3.4606 3.4606
C2 1.3209 1.5059 2.3343 2.3630 1.3668 2.3819 2.3680 2.3680
C3 2.5474 1.5059 3.7681 3.0384 2.3881 1.3625 1.3673 1.3673
F4 1.3361 2.3343 3.7681 2.2065 2.7136 4.1877 4.5624 4.5624
F5 1.3351 2.3630 3.0384 2.2065 3.5826 2.6943 4.0042 4.0042
F6 2.3173 1.3668 2.3881 2.7136 3.5826 3.5823 2.8119 2.8119
F7 2.8518 2.3819 1.3625 4.1877 2.6943 3.5823 2.2056 2.2056
F8 3.4606 2.3680 1.3673 4.5624 4.0042 2.8119 2.2056 2.1986
F9 3.4606 2.3680 1.3673 4.5624 4.0042 2.8119 2.2056 2.1986
Maximum atom distance is 4.5624Å between atoms F4 and F8.
picture of hexafluoropropene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 128.504 C1 C2 F6 119.121
C2 C1 F4 122.942 C2 C1 F5 125.671
C2 C3 F7 112.180 C2 C3 F8 110.917
C2 C3 F9 110.917 C3 C2 F6 112.374
F4 C1 F5 111.388 F7 C3 F8 107.792
F7 C3 F9 107.792 F8 C3 F8 0.000

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