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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
ROHF/6-31+G**
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Cl1 |
-0.6857 |
-1.1172 |
0.0000 |
|
-0.4556 |
-1.2291 |
0.0000 |
S2 |
0.0000 |
0.8063 |
0.0000 |
|
0.6343 |
0.4978 |
0.0000 |
O3 |
1.4570 |
0.7615 |
0.0000 |
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-0.3005 |
1.6163 |
0.0000 |
Atom - Atom Distances (Å)
|
Cl1 |
S2 |
O3 |
Cl1 |
| 2.0421 |
2.8497 |
S2 |
2.0421 |
| 1.4577 |
O3 |
2.8497 |
1.4577 |
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Maximum atom distance is 2.8497Å
between atoms Cl1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Cl1 |
S2 |
O3 |
107.858 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.