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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

HSEh1PBE/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1103 0.7690 0.6640   0.6687 0.0768 0.7690
C2 -0.1103 -0.7690 0.6640   0.6576 -0.1435 -0.7690
C3 -0.1103 -0.7690 -0.6640   -0.6687 -0.0768 -0.7690
C4 0.1103 0.7690 -0.6640   -0.6576 0.1435 0.7690
F5 -0.1103 1.6589 1.6074   1.5999 -0.1908 1.6589
F6 0.1103 -1.6589 1.6074   1.6109 0.0295 -1.6589
F7 0.1103 -1.6589 -1.6074   -1.5999 0.1908 -1.6589
F8 -0.1103 1.6589 -1.6074   -1.6109 -0.0295 1.6589
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6 F7 F8
C1 1.5538 2.0439 1.3280 1.3155 2.6048 3.3248 2.4495
C2 1.5538 1.3280 2.0439 2.6048 1.3155 2.4495 3.3248
C3 2.0439 1.3280 1.5538 3.3248 2.4495 1.3155 2.6048
C4 1.3280 2.0439 1.5538 2.4495 3.3248 2.6048 1.3155
F5 1.3155 2.6048 3.3248 2.4495 3.3252 4.6252 3.2148
F6 2.6048 1.3155 2.4495 3.3248 3.3252 3.2148 4.6252
F7 3.3248 2.4495 1.3155 2.6048 4.6252 3.2148 3.3252
F8 2.4495 3.3248 2.6048 1.3155 3.2148 4.6252 3.3252
Maximum atom distance is 4.6252Å 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 130.226
C1 C4 C3 90.000 C1 C4 F8 135.818
C2 C1 C4 90.000 C2 C1 F5 130.226
C2 C3 C4 90.000 C2 C3 F7 135.818
C3 C2 F6 135.818 C3 C4 F8 130.226
C4 C1 F5 135.818 C4 C3 F7 130.226

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