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Geometry for C2F2 (difluoroacetylene) 1Σg D*H

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

wB97X-D/6-31+G**


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.5947
C2 0.0000 0.0000 -0.5947
F3 0.0000 0.0000 1.8830
F4 0.0000 0.0000 -1.8830
Atom - Atom Distances (Å)
  C1 C2 F3 F4
C1 1.1894 1.2883 2.4777
C2 1.1894 2.4777 1.2883
F3 1.2883 2.4777 3.7661
F4 2.4777 1.2883 3.7661
Maximum atom distance is 3.7661Å 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.