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Geometry for C3O2 (Carbon suboxide) 1A1 C2V

1910171554
InChI=1S/C3O2/c4-2-1-3-5 INChIKey=GNEVIACKFGQMHB-UHFFFAOYSA-N

HF/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5311   0.5311 0.0000 0.0000
C2 0.0000 1.1963 0.0745   0.0745 0.0000 1.1963
C3 0.0000 -1.1963 0.0745   0.0745 0.0000 -1.1963
O4 0.0000 2.2751 -0.2550   -0.2550 0.0000 2.2751
O5 0.0000 -2.2751 -0.2550   -0.2550 0.0000 -2.2751
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2805 1.2805 2.4071 2.4071
C2 1.2805 2.3925 1.1280 3.4870
C3 1.2805 2.3925 3.4870 1.1280
O4 2.4071 1.1280 3.4870 4.5502
O5 2.4071 3.4870 1.1280 4.5502
Maximum atom distance is 4.5502Å between atoms O4 and O5.
picture of Carbon suboxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 176.089 C1 C3 O5 176.089
C2 C1 C3 138.211

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