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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
B3LYP/6-31G(2df,p)
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Cl1 |
-1.5985 |
-0.6081 |
0.0000 |
|
1.6835 |
0.3012 |
0.0000 |
S2 |
0.0000 |
0.7722 |
0.0000 |
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-0.1432 |
-0.7589 |
0.0000 |
S3 |
1.6984 |
-0.1262 |
0.0000 |
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-1.6455 |
0.4388 |
0.0000 |
Atom - Atom Distances (Å)
|
Cl1 |
S2 |
S3 |
Cl1 |
| 2.1120 |
3.3319 |
S2 |
2.1120 |
| 1.9214 |
S3 |
3.3319 |
1.9214 |
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Maximum atom distance is 3.3319Å
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 |
111.310 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.