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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

B97D3/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0251 1.4320 0.0000   1.4169 -0.2088 0.0000
C2 -0.4984 0.1806 0.0000   0.1151 -0.5174 0.0000
C3 0.2836 -1.1044 0.0000   -1.0588 0.4230 0.0000
F4 -0.8173 2.4873 0.0000   2.3618 -1.1299 0.0000
F5 1.2471 1.7701 0.0000   1.9156 1.0095 0.0000
F6 -1.8323 -0.0085 0.0000   -0.2437 -1.8161 0.0000
F7 1.6128 -0.8905 0.0000   -0.6761 1.7138 0.0000
F8 -0.0251 -1.8486 1.0891   -1.8365 0.2124 1.0891
F9 -0.0251 -1.8486 -1.0891   -1.8365 0.2124 -1.0891
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7 F8 F9
C1 1.3379 2.5551 1.3195 1.3164 2.3110 2.8420 3.4566 3.4566
C2 1.3379 1.5042 2.3286 2.3608 1.3473 2.3673 2.3511 2.3511
C3 2.5551 1.5042 3.7566 3.0317 2.3829 1.3463 1.3547 1.3547
F4 1.3195 2.3286 3.7566 2.1854 2.6943 4.1611 4.5402 4.5402
F5 1.3164 2.3608 3.0317 2.1854 3.5561 2.6857 3.9875 3.9875
F6 2.3110 1.3473 2.3829 2.6943 3.5561 3.5562 2.7997 2.7997
F7 2.8420 2.3673 1.3463 4.1611 2.6857 3.5562 2.1879 2.1879
F8 3.4566 2.3511 1.3547 4.5402 3.9875 2.7997 2.1879 2.1782
F9 3.4566 2.3511 1.3547 4.5402 3.9875 2.7997 2.1879 2.1782
Maximum atom distance is 4.5402Å 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 127.962 C1 C2 F6 118.784
C2 C1 F4 122.390 C2 C1 F5 125.600
C2 C3 F7 112.182 C2 C3 F8 110.538
C2 C3 F9 110.538 C3 C2 F6 113.254
F4 C1 F5 112.010 F7 C3 F8 108.195
F7 C3 F9 108.195 F8 C3 F8 0.000

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