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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

PBEPBE/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 1.3011   1.3011 0.0000 0.0000
C3 0.0000 0.0000 -1.3011   -1.3011 0.0000 0.0000
F4 0.0000 1.0870 2.0727   2.0727 1.0870 0.0000
F5 0.0000 -1.0870 2.0727   2.0727 -1.0870 0.0000
F6 1.0870 0.0000 -2.0727   -2.0727 0.0000 1.0870
F7 -1.0870 0.0000 -2.0727   -2.0727 0.0000 -1.0870
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7
C1 1.3011 1.3011 2.3405 2.3405 2.3405 2.3405
C2 1.3011 2.6021 1.3331 1.3331 3.5446 3.5446
C3 1.3011 2.6021 3.5446 3.5446 1.3331 1.3331
F4 2.3405 1.3331 3.5446 2.1741 4.4213 4.4213
F5 2.3405 1.3331 3.5446 2.1741 4.4213 4.4213
F6 2.3405 3.5446 1.3331 4.4213 4.4213 2.1741
F7 2.3405 3.5446 1.3331 4.4213 4.4213 2.1741
Maximum atom distance is 4.4213Å 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 125.370 C1 C2 F5 125.370
C1 C3 F6 125.370 C1 C3 F7 125.370
C2 C1 C3 180.000 F4 C2 F5 109.261
F6 C3 F7 109.261

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