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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for CCO (Dicarbon monoxide)
3Σ C*V
1910171554
InChI=1S/C2O/c1-2-3 INChIKey=VILAVOFMIJHSJA-UHFFFAOYSA-N
QCISD/6-311G*
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| C1 |
0.0000 |
0.0000 |
-1.4256 |
| C2 |
0.0000 |
0.0000 |
-0.0526 |
| O3 |
0.0000 |
0.0000 |
1.1087 |
Atom - Atom Distances (Å)
| |
C1 |
C2 |
O3 |
| C1 |
|
1.3731 |
2.5343 |
| C2 |
1.3731 |
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1.1612 |
| O3 |
2.5343 |
1.1612 |
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Maximum atom distance is 2.5343Å
between atoms C1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
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C1 |
C2 |
O3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.