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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

B97D3/6-31+G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1538 0.7572 0.6747   0.6748 0.1537 0.7572
C2 -0.1538 -0.7572 0.6747   0.6747 -0.1540 -0.7572
C3 -0.1538 -0.7572 -0.6747   -0.6748 -0.1537 -0.7572
C4 0.1538 0.7572 -0.6747   -0.6747 0.1540 0.7572
F5 -0.1538 1.6866 1.5815   1.5814 -0.1541 1.6866
F6 0.1538 -1.6866 1.5815   1.5815 0.1536 -1.6866
F7 0.1538 -1.6866 -1.5815   -1.5814 0.1541 -1.6866
F8 -0.1538 1.6866 -1.5815   -1.5815 -0.1536 1.6866
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.5453 2.0516 1.3495 1.3344 2.6065 3.3260 2.4594
C2 1.5453 1.3495 2.0516 2.6065 1.3344 2.4594 3.3260
C3 2.0516 1.3495 1.5453 3.3260 2.4594 1.3344 2.6065
C4 1.3495 2.0516 1.5453 2.4594 3.3260 2.6065 1.3344
F5 1.3344 2.6065 3.3260 2.4594 3.3871 4.6343 3.1629
F6 2.6065 1.3344 2.4594 3.3260 3.3871 3.1629 4.6343
F7 3.3260 2.4594 1.3344 2.6065 4.6343 3.1629 3.3871
F8 2.4594 3.3260 2.6065 1.3344 3.1629 4.6343 3.3871
Maximum atom distance is 4.6343Å 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 129.610
C1 C4 C3 90.000 C1 C4 F8 133.207
C2 C1 C4 90.000 C2 C1 F5 129.610
C2 C3 C4 90.000 C2 C3 F7 133.207
C3 C2 F6 133.207 C3 C4 F8 129.610
C4 C1 F5 133.207 C4 C3 F7 129.610

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