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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
M06-2X/3-21G
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
1.5832 |
0.7864 |
0.0000 |
|
-0.4687 |
1.7045 |
0.0000 |
S2 |
0.0000 |
0.7643 |
0.0000 |
|
0.5699 |
0.5093 |
0.0000 |
S3 |
-0.7916 |
-1.1575 |
0.0000 |
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-0.3355 |
-1.3615 |
0.0000 |
Atom - Atom Distances (Å)
|
O1 |
S2 |
S3 |
O1 |
| 1.5834 |
3.0689 |
S2 |
1.5834 |
| 2.0784 |
S3 |
3.0689 |
2.0784 |
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Maximum atom distance is 3.0689Å
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 |
113.187 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.