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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 ClSO (Sulfur chloride oxide)
2A" CS
1910171554
InChI=1S/ClOS/c1-3-2 INChIKey=JBZRLVKMCLOFLG-UHFFFAOYSA-N
B3LYP/aug-cc-pVTZ
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Cl1 |
-0.6961 |
-1.1619 |
0.0000 |
|
-0.5035 |
-1.2573 |
0.0000 |
| S2 |
0.0000 |
0.8185 |
0.0000 |
|
0.6515 |
0.4954 |
0.0000 |
| O3 |
1.4791 |
0.8321 |
0.0000 |
|
-0.2330 |
1.6810 |
0.0000 |
Atom - Atom Distances (Å)
| |
Cl1 |
S2 |
O3 |
| Cl1 |
| 2.0991 |
2.9508 |
| S2 |
2.0991 |
| 1.4792 |
| O3 |
2.9508 |
1.4792 |
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Maximum atom distance is 2.9508Å
between atoms Cl1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
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Cl1 |
S2 |
O3 |
109.892 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.