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Geometry for C2F2 (difluoroacetylene) 1Σg D*H

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

B3LYP/6-311G*


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.5924
C2 0.0000 0.0000 -0.5924
F3 0.0000 0.0000 1.8787
F4 0.0000 0.0000 -1.8787
Atom - Atom Distances (Å)
  C1 C2 F3 F4
C1 1.1847 1.2863 2.4711
C2 1.1847 2.4711 1.2863
F3 1.2863 2.4711 3.7574
F4 2.4711 1.2863 3.7574
Maximum atom distance is 3.7574Å 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.