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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/6-31+G**


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6919
C2 0.0000 0.0000 -0.6919
C3 0.0000 0.0000 1.9050
C4 0.0000 0.0000 -1.9050
F5 0.0000 0.0000 3.2034
F6 0.0000 0.0000 -3.2034
Atom - Atom Distances (Å)
  C1 C2 C3 C4 F5 F6
C1 1.3838 1.2131 2.5969 2.5115 3.8953
C2 1.3838 2.5969 1.2131 3.8953 2.5115
C3 1.2131 2.5969 3.8101 1.2983 5.1084
C4 2.5969 1.2131 3.8101 5.1084 1.2983
F5 2.5115 3.8953 1.2983 5.1084 6.4067
F6 3.8953 2.5115 5.1084 1.2983 6.4067
Maximum atom distance is 6.4067Å 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.