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Geometry for C2F4 (Tetrafluoroethylene) 1Ag D2H

1910171554
InChI=1S/C2F4/c3-1(4)2(5)6 INChIKey=BFKJFAAPBSQJPD-UHFFFAOYSA-N

B3PW91/6-31G*


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.6629   0.6629 0.0000 0.0000
C2 0.0000 0.0000 -0.6629   -0.6629 0.0000 0.0000
F3 0.0000 1.1056 1.3836   1.3836 1.1056 0.0000
F4 0.0000 -1.1056 1.3836   1.3836 -1.1056 0.0000
F5 0.0000 -1.1056 -1.3836   -1.3836 -1.1056 0.0000
F6 0.0000 1.1056 -1.3836   -1.3836 1.1056 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6
C1 1.3258 1.3198 1.3198 2.3261 2.3261
C2 1.3258 2.3261 2.3261 1.3198 1.3198
F3 1.3198 2.3261 2.2112 3.5422 2.7673
F4 1.3198 2.3261 2.2112 2.7673 3.5422
F5 2.3261 1.3198 3.5422 2.7673 2.2112
F6 2.3261 1.3198 2.7673 3.5422 2.2112
Maximum atom distance is 3.5422Å between atoms F3 and F5.
picture of Tetrafluoroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F5 123.102 C1 C2 F6 123.102
C2 C1 F3 123.102 C2 C1 F4 123.102
F3 C1 F4 113.796 F5 C2 F6 113.796

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