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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/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1410   0.0000 0.1410 0.0000
C2 0.0000 1.2581 0.0206   1.2581 0.0206 0.0000
C3 0.0000 -1.2581 0.0206   -1.2581 0.0206 0.0000
O4 0.0000 2.3849 -0.0683   2.3849 -0.0683 0.0000
O5 0.0000 -2.3849 -0.0683   -2.3849 -0.0683 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2638 1.2638 2.3940 2.3940
C2 1.2638 2.5162 1.1303 3.6440
C3 1.2638 2.5162 3.6440 1.1303
O4 2.3940 1.1303 3.6440 4.7697
O5 2.3940 3.6440 1.1303 4.7697
Maximum atom distance is 4.7697Å 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 179.039 C1 C3 O5 179.039
C2 C1 C3 169.060

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