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Geometry for C2H2 (Acetylene) 1Σg D*H

1910171554
InChI=1S/C2H2/c1-2/h1-2H INChIKey=HSFWRNGVRCDJHI-UHFFFAOYSA-N

PBE1PBE/6-31G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6052
C2 0.0000 0.0000 -0.6052
H3 0.0000 0.0000 1.6703
H4 0.0000 0.0000 -1.6703
Atom - Atom Distances (Å)
  C1 C2 H3 H4
C1 1.2105 1.0651 2.2755
C2 1.2105 2.2755 1.0651
H3 1.0651 2.2755 3.3406
H4 2.2755 1.0651 3.3406
Maximum atom distance is 3.3406Å between atoms H3 and H4.
picture of Acetylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 180.000 C2 C1 H3 180.000

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