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Geometry for C2H2 (Acetylene) 1Σg D*H

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

CCSD/aug-cc-pVDZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6118
C2 0.0000 0.0000 -0.6118
H3 0.0000 0.0000 1.6889
H4 0.0000 0.0000 -1.6889
Atom - Atom Distances (Å)
  C1 C2 H3 H4
C1 1.2237 1.0771 2.3007
C2 1.2237 2.3007 1.0771
H3 1.0771 2.3007 3.3778
H4 2.3007 1.0771 3.3778
Maximum atom distance is 3.3778Å 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.