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Geometry for C2F2 (difluoroacetylene) 1Σg D*H

1910171554
InChI=1S/C2F2/c3-1-2-4 INChIKey=BWTZYYGAOGUPFQ-UHFFFAOYSA-N

HF/6-311G**


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.5808
C2 0.0000 0.0000 -0.5808
F3 0.0000 0.0000 1.8473
F4 0.0000 0.0000 -1.8473
Atom - Atom Distances (Å)
  C1 C2 F3 F4
C1 1.1617 1.2665 2.4281
C2 1.1617 2.4281 1.2665
F3 1.2665 2.4281 3.6946
F4 2.4281 1.2665 3.6946
Maximum atom distance is 3.6946Å between atoms F3 and F4.
picture of difluoroacetylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 180.000 C2 C1 F3 180.000

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