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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

TPSSh/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0280 1.4239 0.0000   1.1315 0.8649 0.0000
C2 -0.4948 0.1732 0.0000   0.4437 -0.2792 0.0000
C3 0.2777 -1.0941 0.0000   -1.0290 -0.4642 0.0000
F4 -0.8437 2.5094 0.0000   2.4887 0.9028 0.0000
F5 1.2827 1.7739 0.0000   0.5890 2.1084 0.0000
F6 -1.8647 -0.0232 0.0000   1.1432 -1.4734 0.0000
F7 1.6452 -0.8616 0.0000   -1.6988 0.7505 0.0000
F8 -0.0280 -1.8669 1.1169   -1.4431 -1.1846 1.1169
F9 -0.0280 -1.8669 -1.1169   -1.4431 -1.1846 -1.1169
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7 F8 F9
C1 1.3349 2.5365 1.3578 1.3567 2.3382 2.8326 3.4751 3.4751
C2 1.3349 1.4842 2.3621 2.3920 1.3839 2.3771 2.3722 2.3722
C3 2.5365 1.4842 3.7740 3.0391 2.3951 1.3872 1.3922 1.3922
F4 1.3578 2.3621 3.7740 2.2500 2.7306 4.1903 4.5896 4.5896
F5 1.3567 2.3920 3.0391 2.2500 3.6243 2.6604 4.0275 4.0275
F6 2.3382 1.3839 2.3951 2.7306 3.6243 3.6087 2.8320 2.8320
F7 2.8326 2.3771 1.3872 4.1903 2.6604 3.6087 2.2490 2.2490
F8 3.4751 2.3722 1.3922 4.5896 4.0275 2.8320 2.2490 2.2339
F9 3.4751 2.3722 1.3922 4.5896 4.0275 2.8320 2.2490 2.2339
Maximum atom distance is 4.5896Å 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 128.172 C1 C2 F6 118.625
C2 C1 F4 122.613 C2 C1 F5 125.418
C2 C3 F7 111.714 C2 C3 F8 111.080
C2 C3 F9 111.080 C3 C2 F6 113.203
F4 C1 F5 111.969 F7 C3 F8 108.030
F7 C3 F9 108.030 F8 C3 F8 0.000

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