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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

CCSD(T)=FULL/TZVP


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 1.2998   1.2998 0.0000 0.0000
C3 0.0000 0.0000 -1.2998   -1.2998 0.0000 0.0000
F4 0.0000 1.0804 2.0596   2.0596 1.0804 0.0000
F5 0.0000 -1.0804 2.0596   2.0596 -1.0804 0.0000
F6 1.0804 0.0000 -2.0596   -2.0596 0.0000 1.0804
F7 -1.0804 0.0000 -2.0596   -2.0596 0.0000 -1.0804
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7
C1 1.2998 1.2998 2.3258 2.3258 2.3258 2.3258
C2 1.2998 2.5995 1.3209 1.3209 3.5288 3.5288
C3 1.2998 2.5995 3.5288 3.5288 1.3209 1.3209
F4 2.3258 1.3209 3.5288 2.1608 4.3935 4.3935
F5 2.3258 1.3209 3.5288 2.1608 4.3935 4.3935
F6 2.3258 3.5288 1.3209 4.3935 4.3935 2.1608
F7 2.3258 3.5288 1.3209 4.3935 4.3935 2.1608
Maximum atom distance is 4.3935Å between atoms F4 and F6.
picture of tetrafluoroallene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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