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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 SOH (Sulfur Hydroxide)
1A' CS
1910171554
InChI=1S/HOS/c1-2/h1H INChIKey=
TPSSh/6-31G*
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0373 |
-0.6102 |
0.0000 |
|
-0.6081 |
0.0636 |
0.0000 |
O2 |
0.0373 |
1.0522 |
0.0000 |
|
1.0529 |
-0.0081 |
0.0000 |
H3 |
-0.8954 |
1.3462 |
0.0000 |
|
1.3064 |
-0.9526 |
0.0000 |
Atom - Atom Distances (Å)
|
S1 |
O2 |
H3 |
S1 |
| 1.6625 |
2.1674 |
O2 |
1.6625 |
|
0.9780 |
H3 |
2.1674 |
0.9780 |
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Maximum atom distance is 2.1674Å
between atoms S1 and H3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
S1 |
O2 |
H3 |
107.494 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.