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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
PBE1PBE/6-311G**
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Cl1 |
-0.6955 |
-1.1613 |
0.0000 |
|
-1.3462 |
0.1416 |
0.0000 |
| S2 |
0.0000 |
0.8177 |
0.0000 |
|
0.6537 |
-0.4912 |
0.0000 |
| O3 |
1.4779 |
0.8323 |
0.0000 |
|
1.5532 |
0.6815 |
0.0000 |
Atom - Atom Distances (Å)
| |
Cl1 |
S2 |
O3 |
| Cl1 |
| 2.0976 |
2.9492 |
| S2 |
2.0976 |
| 1.4780 |
| O3 |
2.9492 |
1.4780 |
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Maximum atom distance is 2.9492Å
between atoms Cl1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
Cl1 |
S2 |
O3 |
109.931 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.