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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
PBEPBEultrafine/cc-pVDZ
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| O1 |
1.5159 |
0.8136 |
0.0000 |
|
1.6189 |
0.5822 |
0.0000 |
| S2 |
0.0000 |
0.6954 |
0.0000 |
|
0.5168 |
-0.4653 |
0.0000 |
| S3 |
-0.7579 |
-1.1022 |
0.0000 |
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-1.3262 |
0.1742 |
0.0000 |
Atom - Atom Distances (Å)
| |
O1 |
S2 |
S3 |
| O1 |
| 1.5205 |
2.9733 |
| S2 |
1.5205 |
| 1.9508 |
| S3 |
2.9733 |
1.9508 |
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Maximum atom distance is 2.9733Å
between atoms O1 and S3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
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O1 |
S2 |
S3 |
117.322 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.