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Geometry for C2F2 (difluoroacetylene) 1Σg D*H

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

PBEPBE/aug-cc-pVTZ


Point group is D∞h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5982   0.0000 0.0000 0.5982
C2 0.0000 0.0000 -0.5982   0.0000 0.0000 -0.5982
F3 0.0000 0.0000 1.8896   0.0000 0.0000 1.8896
F4 0.0000 0.0000 -1.8896   0.0000 0.0000 -1.8896
Atom - Atom Distances (Å)
  C1 C2 F3 F4
C1 1.1965 1.2914 2.4878
C2 1.1965 2.4878 1.2914
F3 1.2914 2.4878 3.7792
F4 2.4878 1.2914 3.7792
Maximum atom distance is 3.7792Å 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.