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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

B3PW91/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.0070 1.0432 0.0000   1.1635 0.8652 0.0000
C2 -0.2753 0.5543 0.0000   0.5145 -0.3440 0.0000
C3 -0.6068 -0.9960 0.0000   -1.0655 -0.4744 0.0000
F4 1.3045 2.3796 0.0000   2.5270 0.9893 0.0000
F5 2.1287 0.2629 0.0000   0.5332 2.0776 0.0000
F6 -1.3603 1.3995 0.0000   1.2139 -1.5282 0.0000
F7 0.5644 -1.7615 0.0000   -1.6748 0.7852 0.0000
F8 -1.3603 -1.3407 1.1319   -1.5038 -1.1775 1.1319
F9 -1.3603 -1.3407 -1.1319   -1.5038 -1.1775 -1.1319
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7 F8 F9
C1 1.3723 2.6006 1.3691 1.3665 2.3940 2.8395 3.5452 3.5452
C2 1.3723 1.5854 2.4140 2.4216 1.3754 2.4633 2.4596 2.4596
C3 2.6006 1.5854 3.8792 3.0114 2.5113 1.3992 1.4028 1.4028
F4 1.3691 2.4140 3.8792 2.2715 2.8393 4.2067 4.7142 4.7142
F5 1.3665 2.4216 3.0114 2.2715 3.6695 2.5584 4.0033 4.0033
F6 2.3940 1.3754 2.5113 2.8393 3.6695 3.7009 2.9648 2.9648
F7 2.8395 2.4633 1.3992 4.2067 2.5584 3.7009 2.2722 2.2722
F8 3.5452 2.4596 1.4028 4.7142 4.0033 2.9648 2.2722 2.2639
F9 3.5452 2.4596 1.4028 4.7142 4.0033 2.9648 2.2722 2.2639
Maximum atom distance is 4.7142Å 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 122.945 C1 C2 F6 121.207
C2 C1 F4 123.426 C2 C1 F5 124.302
C2 C3 F7 111.096 C2 C3 F8 110.647
C2 C3 F9 110.647 C3 C2 F6 115.848
F4 C1 F5 112.273 F7 C3 F8 108.372
F7 C3 F9 108.372 F8 C3 F8 0.000

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