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Geometry for C2H2 (Acetylene) 1Σg D*H

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

MP4=FULL/6-31G*


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6092
C2 0.0000 0.0000 -0.6092
H3 0.0000 0.0000 1.6783
H4 0.0000 0.0000 -1.6783
Atom - Atom Distances (Å)
  C1 C2 H3 H4
C1 1.2183 1.0691 2.2874
C2 1.2183 2.2874 1.0691
H3 1.0691 2.2874 3.3565
H4 2.2874 1.0691 3.3565
Maximum atom distance is 3.3565Å 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.