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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 ClS2 (Sulfur chloride)
2A" CS
1910171554
InChI=1S/ClS2/c1-3-2 INChIKey=ASGYIKBYZKQKJC-UHFFFAOYSA-N
HF/6-31G**
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Cl1 |
-1.5585 |
-0.5284 |
0.0000 |
|
1.6083 |
0.3489 |
0.0000 |
S2 |
0.0000 |
0.7995 |
0.0000 |
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-0.0903 |
-0.7943 |
0.0000 |
S3 |
1.6559 |
-0.2380 |
0.0000 |
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-1.6184 |
0.4236 |
0.0000 |
Atom - Atom Distances (Å)
|
Cl1 |
S2 |
S3 |
Cl1 |
| 2.0475 |
3.2276 |
S2 |
2.0475 |
| 1.9541 |
S3 |
3.2276 |
1.9541 |
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Maximum atom distance is 3.2276Å
between atoms Cl1 and S3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Cl1 |
S2 |
S3 |
107.501 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.