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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 ClCO (carbonyl monochloride)
2A' CS
1910171554
InChI=1S/CClO/c2-1-3 INChIKey=DDKMFOUTRRODRE-UHFFFAOYSA-N
LSDA/cc-pVDZ
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Cl1 |
-0.5092 |
-0.8847 |
0.0000 |
|
-0.4585 |
-0.9120 |
0.0000 |
C2 |
0.0000 |
0.8192 |
0.0000 |
|
0.6840 |
0.4508 |
0.0000 |
O3 |
1.0820 |
1.2655 |
0.0000 |
|
0.4613 |
1.5998 |
0.0000 |
Atom - Atom Distances (Å)
|
Cl1 |
C2 |
O3 |
Cl1 |
| 1.7783 |
2.6749 |
C2 |
1.7783 |
|
1.1704 |
O3 |
2.6749 |
1.1704 |
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Maximum atom distance is 2.6749Å
between atoms Cl1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Cl1 |
C2 |
O3 |
129.054 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.