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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 SCl2 (Sulfur dichloride)
1A1 C2V
1910171554
InChI=1S/Cl2S/c1-3-2 INChIKey=FWMUJAIKEJWSSY-UHFFFAOYSA-N
CCSD(T)/TZVP
Point group is C2v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
0.0000 |
0.8770 |
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0.0000 |
0.8770 |
0.0000 |
Cl2 |
0.0000 |
1.6160 |
-0.4127 |
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1.6160 |
-0.4127 |
0.0000 |
Cl3 |
0.0000 |
-1.6160 |
-0.4127 |
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-1.6160 |
-0.4127 |
0.0000 |
Atom - Atom Distances (Å)
|
S1 |
Cl2 |
Cl3 |
S1 |
| 2.0675 |
2.0675 |
Cl2 |
2.0675 |
| 3.2319 |
Cl3 |
2.0675 |
3.2319 |
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Maximum atom distance is 3.2319Å
between atoms Cl2 and Cl3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Cl2 |
S1 |
Cl3 |
102.812 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.