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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

B1B95/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0228 1.4131 0.0000   1.3983 -0.2057 0.0000
C2 -0.5039 0.1768 0.0000   0.1100 -0.5226 0.0000
C3 0.2773 -1.0934 0.0000   -1.0482 0.4165 0.0000
F4 -0.7970 2.4676 0.0000   2.3436 -1.1099 0.0000
F5 1.2458 1.7257 0.0000   1.8726 1.0118 0.0000
F6 -1.8262 -0.0081 0.0000   -0.2446 -1.8098 0.0000
F7 1.5893 -0.8606 0.0000   -0.6474 1.6873 0.0000
F8 -0.0228 -1.8279 1.0763   -1.8154 0.2142 1.0763
F9 -0.0228 -1.8279 -1.0763   -1.8154 0.2142 -1.0763
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7 F8 F9
C1 1.3266 2.5244 1.3082 1.3066 2.2961 2.7872 3.4150 3.4150
C2 1.3266 1.4911 2.3095 2.3368 1.3352 2.3361 2.3256 2.3256
C3 2.5244 1.4911 3.7195 2.9808 2.3669 1.3325 1.3371 1.3371
F4 1.3082 2.3095 3.7195 2.1734 2.6812 4.0952 4.4954 4.4954
F5 1.3066 2.3368 2.9808 2.1734 3.5276 2.6090 3.9237 3.9237
F6 2.2961 1.3352 2.3669 2.6812 3.5276 3.5203 2.7789 2.7789
F7 2.7872 2.3361 1.3325 4.0952 2.6090 3.5203 2.1663 2.1663
F8 3.4150 2.3256 1.3371 4.4954 3.9237 2.7789 2.1663 2.1525
F9 3.4150 2.3256 1.3371 4.4954 3.9237 2.7789 2.1663 2.1525
Maximum atom distance is 4.4954Å 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 127.145 C1 C2 F6 119.222
C2 C1 F4 122.454 C2 C1 F5 125.104
C2 C3 F7 111.531 C2 C3 F8 110.509
C2 C3 F9 110.509 C3 C2 F6 113.633
F4 C1 F5 112.442 F7 C3 F8 108.477
F7 C3 F9 108.477 F8 C3 F8 0.000

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