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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
mPW1PW91/6-311G**
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
C1 |
0.0000 |
0.0000 |
-1.4142 |
C2 |
0.0000 |
0.0000 |
-0.0553 |
O3 |
0.0000 |
0.0000 |
1.1021 |
Atom - Atom Distances (Å)
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C1 |
C2 |
O3 |
C1 |
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1.3589 |
2.5163 |
C2 |
1.3589 |
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1.1574 |
O3 |
2.5163 |
1.1574 |
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Maximum atom distance is 2.5163Å
between atoms C1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
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.