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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

wB97X-D/6-311G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1284 0.7590 0.6628   0.6685 0.0943 0.7590
C2 -0.1284 -0.7590 0.6628   0.6553 -0.1622 -0.7590
C3 -0.1284 -0.7590 -0.6628   -0.6685 -0.0943 -0.7590
C4 0.1284 0.7590 -0.6628   -0.6553 0.1622 0.7590
F5 -0.1284 1.6661 1.5807   1.5721 -0.2092 1.6661
F6 0.1284 -1.6661 1.5807   1.5852 0.0472 -1.6661
F7 0.1284 -1.6661 -1.5807   -1.5721 0.2092 -1.6661
F8 -0.1284 1.6661 -1.5807   -1.5852 -0.0472 1.6661
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.5396 2.0317 1.3256 1.3157 2.5930 3.3037 2.4335
C2 1.5396 1.3256 2.0317 2.5930 1.3157 2.4335 3.3037
C3 2.0317 1.3256 1.5396 3.3037 2.4335 1.3157 2.5930
C4 1.3256 2.0317 1.5396 2.4335 3.3037 2.5930 1.3157
F5 1.3157 2.5930 3.3037 2.4335 3.3420 4.6004 3.1614
F6 2.5930 1.3157 2.4335 3.3037 3.3420 3.1614 4.6004
F7 3.3037 2.4335 1.3157 2.5930 4.6004 3.1614 3.3420
F8 2.4335 3.3037 2.5930 1.3157 3.1614 4.6004 3.3420
Maximum atom distance is 4.6004Å 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 130.327
C1 C4 C3 90.000 C1 C4 F8 134.238
C2 C1 C4 90.000 C2 C1 F5 130.327
C2 C3 C4 90.000 C2 C3 F7 134.238
C3 C2 F6 134.238 C3 C4 F8 130.327
C4 C1 F5 134.238 C4 C3 F7 130.327

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