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Geometry for CO2 (Carbon dioxide) 1Σg D*H

1910171554
InChI=1S/CO2/c2-1-3 INChIKey=CURLTUGMZLYLDI-UHFFFAOYSA-N

B2PLYP/cc-pVTZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000
O2 0.0000 0.0000 1.1643
O3 0.0000 0.0000 -1.1643
Atom - Atom Distances (Å)
  C1 O2 O3
C1 1.1643 1.1643
O2 1.1643 2.3287
O3 1.1643 2.3287
Maximum atom distance is 2.3287Å between atoms O2 and O3.
picture of Carbon dioxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 O3 180.000

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