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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

LSDA/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0235 1.4076 0.0000   1.1064 0.8705 0.0000
C2 -0.5062 0.1644 0.0000   0.4471 -0.2888 0.0000
C3 0.2716 -1.0800 0.0000   -1.0090 -0.4713 0.0000
F4 -0.8222 2.4868 0.0000   2.4475 0.9325 0.0000
F5 1.2782 1.7306 0.0000   0.5350 2.0839 0.0000
F6 -1.8574 -0.0273 0.0000   1.1516 -1.4576 0.0000
F7 1.6205 -0.8232 0.0000   -1.6616 0.7369 0.0000
F8 -0.0235 -1.8474 1.1054   -1.4178 -1.1847 1.1054
F9 -0.0235 -1.8474 -1.1054   -1.4178 -1.1847 -1.1054
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7 F8 F9
C1 1.3336 2.5050 1.3426 1.3412 2.3285 2.7711 3.4376 3.4376
C2 1.3336 1.4675 2.3438 2.3743 1.3647 2.3449 2.3457 2.3457
C3 2.5050 1.4675 3.7307 2.9854 2.3750 1.3731 1.3777 1.3777
F4 1.3426 2.3438 3.7307 2.2324 2.7188 4.1137 4.5437 4.5437
F5 1.3412 2.3743 2.9854 2.2324 3.5948 2.5767 3.9647 3.9647
F6 2.3285 1.3647 2.3750 2.7188 3.5948 3.5678 2.8104 2.8104
F7 2.7711 2.3449 1.3731 4.1137 2.5767 3.5678 2.2302 2.2302
F8 3.4376 2.3457 1.3777 4.5437 3.9647 2.8104 2.2302 2.2108
F9 3.4376 2.3457 1.3777 4.5437 3.9647 2.8104 2.2302 2.2108
Maximum atom distance is 4.5437Å 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 126.769 C1 C2 F6 119.296
C2 C1 F4 122.271 C2 C1 F5 125.160
C2 C3 F7 111.232 C2 C3 F8 111.028
C2 C3 F9 111.028 C3 C2 F6 113.935
F4 C1 F5 112.569 F7 C3 F8 108.336
F7 C3 F9 108.336 F8 C3 F8 0.000

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