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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/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0248 1.4077 0.0000   1.1241 0.8477 0.0000
C2 -0.4937 0.1861 0.0000   0.4508 -0.2742 0.0000
C3 0.2782 -1.0940 0.0000   -1.0331 -0.4549 0.0000
F4 -0.7870 2.4522 0.0000   2.4164 0.8908 0.0000
F5 1.2274 1.7268 0.0000   0.6040 2.0307 0.0000
F6 -1.8058 -0.0059 0.0000   1.1079 -1.4260 0.0000
F7 1.5752 -0.8804 0.0000   -1.6640 0.6984 0.0000
F8 -0.0248 -1.8130 1.0621   -1.4128 -1.1365 1.0621
F9 -0.0248 -1.8130 -1.0621   -1.4128 -1.1365 -1.0621
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7 F8 F9
C1 1.3085 2.5200 1.2930 1.2923 2.2738 2.7921 3.3913 3.3913
C2 1.3085 1.4948 2.2850 2.3100 1.3260 2.3277 2.3118 2.3118
C3 2.5200 1.4948 3.7027 2.9762 2.3509 1.3145 1.3179 1.3179
F4 1.2930 2.2850 3.7027 2.1411 2.6608 4.0849 4.4610 4.4610
F5 1.2923 2.3100 2.9762 2.1411 3.4932 2.6303 3.9021 3.9021
F6 2.2738 1.3260 2.3509 2.6608 3.4932 3.4923 2.7505 2.7505
F7 2.7921 2.3277 1.3145 4.0849 2.6303 3.4923 2.1349 2.1349
F8 3.3913 2.3118 1.3179 4.4610 3.9021 2.7505 2.1349 2.1242
F9 3.3913 2.3118 1.3179 4.4610 3.9021 2.7505 2.1349 2.1242
Maximum atom distance is 4.4610Å 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 127.910 C1 C2 F6 119.324
C2 C1 F4 122.881 C2 C1 F5 125.296
C2 C3 F7 111.742 C2 C3 F8 110.395
C2 C3 F9 110.395 C3 C2 F6 112.766
F4 C1 F5 111.823 F7 C3 F8 108.391
F7 C3 F9 108.391 F8 C3 F8 0.000

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