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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

B2PLYP/3-21G*


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6808
C2 0.0000 0.0000 -0.6808
C3 0.0000 0.0000 1.8876
C4 0.0000 0.0000 -1.8876
F5 0.0000 0.0000 3.1993
F6 0.0000 0.0000 -3.1993
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6
C1 1.3617 1.2067 2.5684 2.5184 3.8801
C2 1.3617 2.5684 1.2067 3.8801 2.5184
C3 1.2067 2.5684 3.7751 1.3117 5.0868
C4 2.5684 1.2067 3.7751 5.0868 1.3117
F5 2.5184 3.8801 1.3117 5.0868 6.3985
F6 3.8801 2.5184 5.0868 1.3117 6.3985
Maximum atom distance is 6.3985Å 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.