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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/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9838 1.0187 0.0000   1.1368 0.8447 0.0000
C2 -0.2609 0.5482 0.0000   0.5101 -0.3293 0.0000
C3 -0.5973 -0.9762 0.0000   -1.0449 -0.4668 0.0000
F4 1.2857 2.3334 0.0000   2.4794 0.9749 0.0000
F5 2.0892 0.2482 0.0000   0.5149 2.0399 0.0000
F6 -1.3351 1.3851 0.0000   1.2019 -1.5022 0.0000
F7 0.5465 -1.7331 0.0000   -1.6484 0.7649 0.0000
F8 -1.3351 -1.3138 1.1094   -1.4746 -1.1550 1.1094
F9 -1.3351 -1.3138 -1.1094   -1.4746 -1.1550 -1.1094
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7 F8 F9
C1 1.3307 2.5455 1.3490 1.3474 2.3477 2.7863 3.4711 3.4711
C2 1.3307 1.5610 2.3620 2.3692 1.3617 2.4200 2.4190 2.4190
C3 2.5455 1.5610 3.8078 2.9524 2.4739 1.3716 1.3744 1.3744
F4 1.3490 2.3620 3.8078 2.2346 2.7871 4.1331 4.6262 4.6262
F5 1.3474 2.3692 2.9524 2.2346 3.6081 2.5111 3.9238 3.9238
F6 2.3477 1.3617 2.4739 2.7871 3.6081 3.6419 2.9180 2.9180
F7 2.7863 2.4200 1.3716 4.1331 2.5111 3.6419 2.2242 2.2242
F8 3.4711 2.4190 1.3744 4.6262 3.9238 2.9180 2.2242 2.2187
F9 3.4711 2.4190 1.3744 4.6262 3.9238 2.9180 2.2242 2.2187
Maximum atom distance is 4.6262Å 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 123.149 C1 C2 F6 121.372
C2 C1 F4 123.636 C2 C1 F5 124.420
C2 C3 F7 111.049 C2 C3 F8 110.827
C2 C3 F9 110.827 C3 C2 F6 115.480
F4 C1 F5 111.944 F7 C3 F8 108.186
F7 C3 F9 108.186 F8 C3 F8 0.000

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