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Geometry for HCCF (Fluoroacetylene) 1Σ C*V

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

PBEPBEultrafine/aug-cc-pVDZ


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.0925
C2 0.0000 0.0000 -1.3084
F3 0.0000 0.0000 1.1988
H4 0.0000 0.0000 -2.3840
Atom - Atom Distances (Å)
  C1 C2 F3 H4
C1 1.2159 1.2913 2.2914
C2 1.2159 2.5072 1.0756
F3 1.2913 2.5072 3.5828
H4 2.2914 1.0756 3.5828
Maximum atom distance is 3.5828Å 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.