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Geometry for C2H2 (Acetylene) 1Σg D*H

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

mPW1PW91/aug-cc-pVDZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6039
C2 0.0000 0.0000 -0.6039
H3 0.0000 0.0000 1.6743
H4 0.0000 0.0000 -1.6743
Atom - Atom Distances (Å)
  C1 C2 H3 H4
C1 1.2079 1.0704 2.2782
C2 1.2079 2.2782 1.0704
H3 1.0704 2.2782 3.3486
H4 2.2782 1.0704 3.3486
Maximum atom distance is 3.3486Å 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.