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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 SSO (Disulfur monoxide)
1A' CS
1910171554
InChI=1S/OS2/c1-3-2 INChIKey=TXKMVPPZCYKFAC-UHFFFAOYSA-N
B2PLYP=FULL/STO-3G
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
1.6399 |
0.6432 |
0.0000 |
|
1.6209 |
-0.6898 |
0.0000 |
S2 |
0.0000 |
0.7630 |
0.0000 |
|
0.5345 |
0.5445 |
0.0000 |
S3 |
-0.8200 |
-1.0846 |
0.0000 |
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-1.3449 |
-0.1995 |
0.0000 |
Atom - Atom Distances (Å)
|
O1 |
S2 |
S3 |
O1 |
| 1.6443 |
3.0060 |
S2 |
1.6443 |
| 2.0213 |
S3 |
3.0060 |
2.0213 |
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Maximum atom distance is 3.0060Å
between atoms O1 and S3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
O1 |
S2 |
S3 |
109.755 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.