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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 CO (Carbon monoxide)
1Σ C*V
1910171554
InChI=1S/CO/c1-2 INChIKey=UGFAIRIUMAVXCW-UHFFFAOYSA-N
BLYP/6-311G**
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
C1 |
0.0000 |
0.0000 |
-0.6508 |
O2 |
0.0000 |
0.0000 |
0.4881 |
Atom - Atom Distances (Å)
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C1 |
O2 |
C1 |
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1.1388 |
O2 |
1.1388 |
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Maximum atom distance is 1.1388Å
between atoms C1 and O2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.