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Geometry for C2F2 (difluoroacetylene) 1Σg D*H

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

LSDA/6-31+G**


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6011
C2 0.0000 0.0000 -0.6011
F3 0.0000 0.0000 1.8842
F4 0.0000 0.0000 -1.8842
Atom - Atom Distances (Å)
  C1 C2 F3 F4
C1 1.2021 1.2831 2.4852
C2 1.2021 2.4852 1.2831
F3 1.2831 2.4852 3.7684
F4 2.4852 1.2831 3.7684
Maximum atom distance is 3.7684Å 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.