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Geometry for C2H2 (Acetylene) 1Σg D*H

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

CCSD=FULL/cc-pVTZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.5997
C2 0.0000 0.0000 -0.5997
H3 0.0000 0.0000 1.6570
H4 0.0000 0.0000 -1.6570
Atom - Atom Distances (Å)
  C1 C2 H3 H4
C1 1.1995 1.0572 2.2567
C2 1.1995 2.2567 1.0572
H3 1.0572 2.2567 3.3139
H4 2.2567 1.0572 3.3139
Maximum atom distance is 3.3139Å 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.