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Geometry for HCCF (Fluoroacetylene) 1Σ C*V

1910171554
InChI=1S/C2HF/c1-2-3/h1H INChIKey=IAWCIZWLKMTPLL-UHFFFAOYSA-N

B3LYPultrafine/6-31G(2df,p)


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.0921
C2 0.0000 0.0000 -1.2859
F3 0.0000 0.0000 1.1794
H4 0.0000 0.0000 -2.3462
Atom - Atom Distances (Å)
  C1 C2 F3 H4
C1 1.1937 1.2715 2.2541
C2 1.1937 2.4652 1.0604
F3 1.2715 2.4652 3.5256
H4 2.2541 1.0604 3.5256
Maximum atom distance is 3.5256Å between atoms F3 and H4.
picture of Fluoroacetylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 180.000

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