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Geometry for C2F2 (difluoroacetylene) 1Σg D*H

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

MP2/CEP-31G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1835 0.6242 0.0000   0.6295 -0.1643 0.0000
C2 0.1835 -0.6242 0.0000   -0.6295 0.1643 0.0000
F3 0.1835 1.9414 0.0000   1.9349 0.2428 0.0000
F4 -0.1835 -1.9414 0.0000   -1.9349 -0.2428 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4
C1 1.3012 1.3674 2.5656
C2 1.3012 2.5656 1.3674
F3 1.3674 2.5656 3.9001
F4 2.5656 1.3674 3.9001
Maximum atom distance is 3.9001Å 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 148.047 C2 C1 F3 148.047

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