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Geometry for C4F4 (tetrafluorcyclobutadiene) 1AG C2H

1910171554
InChI=1S/C4F4/c5-1-2(6)4(8)3(1)7 INChIKey=CZCWNUQRLNESIL-UHFFFAOYSA-N

HF/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0002 0.7863 0.6495   0.6493 -0.0163 0.7863
C2 -0.0002 -0.7863 0.6495   0.6493 -0.0166 -0.7863
C3 -0.0002 -0.7863 -0.6495   -0.6493 0.0163 -0.7863
C4 0.0002 0.7863 -0.6495   -0.6493 0.0166 0.7863
F5 -0.0002 1.6294 1.6241   1.6236 -0.0413 1.6294
F6 0.0002 -1.6294 1.6241   1.6236 -0.0410 -1.6294
F7 0.0002 -1.6294 -1.6241   -1.6236 0.0413 -1.6294
F8 -0.0002 1.6294 -1.6241   -1.6236 0.0410 1.6294
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.5726 2.0398 1.2990 1.2886 2.6049 3.3174 2.4249
C2 1.5726 1.2990 2.0398 2.6049 1.2886 2.4249 3.3174
C3 2.0398 1.2990 1.5726 3.3174 2.4249 1.2886 2.6049
C4 1.2990 2.0398 1.5726 2.4249 3.3174 2.6049 1.2886
F5 1.2886 2.6049 3.3174 2.4249 3.2588 4.6011 3.2482
F6 2.6049 1.2886 2.4249 3.3174 3.2588 3.2482 4.6011
F7 3.3174 2.4249 1.2886 2.6049 4.6011 3.2482 3.2588
F8 2.4249 3.3174 2.6049 1.2886 3.2482 4.6011 3.2588
Maximum atom distance is 4.6011Å between atoms F5 and F7.
picture of tetrafluorcyclobutadiene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 90.000 C1 C2 F6 130.861
C1 C4 C3 90.000 C1 C4 F8 139.139
C2 C1 C4 90.000 C2 C1 F5 130.861
C2 C3 C4 90.000 C2 C3 F7 139.139
C3 C2 F6 139.139 C3 C4 F8 130.861
C4 C1 F5 139.139 C4 C3 F7 130.861

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