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Geometry for F2CCCF2 (tetrafluoroallene) 1A1 D2D

1910171554
InChI=1S/C3F4/c4-2(5)1-3(6)7 INChIKey=PWWKERINVYVSIE-UHFFFAOYSA-N

B3LYPultrafine/6-31G*


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
C2 0.0000 0.0000 1.2986   1.2986 0.0000 0.0000
C3 0.0000 0.0000 -1.2986   -1.2986 0.0000 0.0000
F4 0.0000 1.0813 2.0651   2.0651 1.0813 0.0000
F5 0.0000 -1.0813 2.0651   2.0651 -1.0813 0.0000
F6 1.0813 0.0000 -2.0651   -2.0651 0.0000 1.0813
F7 -1.0813 0.0000 -2.0651   -2.0651 0.0000 -1.0813
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7
C1 1.2986 1.2986 2.3310 2.3310 2.3310 2.3310
C2 1.2986 2.5972 1.3254 1.3254 3.5332 3.5332
C3 1.2986 2.5972 3.5332 3.5332 1.3254 1.3254
F4 2.3310 1.3254 3.5332 2.1627 4.4042 4.4042
F5 2.3310 1.3254 3.5332 2.1627 4.4042 4.4042
F6 2.3310 3.5332 1.3254 4.4042 4.4042 2.1627
F7 2.3310 3.5332 1.3254 4.4042 4.4042 2.1627
Maximum atom distance is 4.4042Å between atoms F4 and F6.
picture of tetrafluoroallene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 125.329 C1 C2 F5 125.329
C1 C3 F6 125.329 C1 C3 F7 125.329
C2 C1 C3 180.000 F4 C2 F5 109.341
F6 C3 F7 109.341

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