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Geometry for C4F2 (difluorobutadiyne) 1ΣG D*H

1910171554
InChI=1S/C4F2/c5-3-1-2-4-6 INChIKey=XOQUBARPWKCNSI-UHFFFAOYSA-N

QCISD(T)=FULL/cc-pVDZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6968
C2 0.0000 0.0000 -0.6968
C3 0.0000 0.0000 1.9199
C4 0.0000 0.0000 -1.9199
F5 0.0000 0.0000 3.2125
F6 0.0000 0.0000 -3.2125
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6
C1 1.3935 1.2232 2.6167 2.5157 3.9092
C2 1.3935 2.6167 1.2232 3.9092 2.5157
C3 1.2232 2.6167 3.8398 1.2926 5.1324
C4 2.6167 1.2232 3.8398 5.1324 1.2926
F5 2.5157 3.9092 1.2926 5.1324 6.4250
F6 3.9092 2.5157 5.1324 1.2926 6.4250
Maximum atom distance is 6.4250Å between atoms F5 and F6.
picture of difluorobutadiyne
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 180.000 C1 C3 F5 180.000
C2 C1 C3 180.000 C2 C4 F6 180.000

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