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Geometry for HCCF (Fluoroacetylene) 1Σ C*V

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

PBEPBEultrafine/6-31G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.0933
C2 0.0000 0.0000 -1.3059
F3 0.0000 0.0000 1.1970
H4 0.0000 0.0000 -2.3777
Atom - Atom Distances (Å)
  C1 C2 F3 H4
C1 1.2126 1.2903 2.2844
C2 1.2126 2.5029 1.0719
F3 1.2903 2.5029 3.5748
H4 2.2844 1.0719 3.5748
Maximum atom distance is 3.5748Å 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.