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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 SNO (Nitrogen oxide sulfide)
2A' CS
1910171554
InChI=1S/NOS/c2-1-3 INChIKey=
BLYP/6-311G**
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| N1 |
0.0000 |
0.6447 |
0.0000 |
|
0.5006 |
0.4062 |
0.0000 |
| S2 |
-0.5262 |
-0.8982 |
0.0000 |
|
-0.3659 |
-0.9746 |
0.0000 |
| O3 |
1.0524 |
1.2323 |
0.0000 |
|
0.2938 |
1.5937 |
0.0000 |
Atom - Atom Distances (Å)
| |
N1 |
S2 |
O3 |
| N1 |
| 1.6302 |
1.2054 |
| S2 |
1.6302 |
| 2.6516 |
| O3 |
1.2054 |
2.6516 |
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Maximum atom distance is 2.6516Å
between atoms S2 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
S2 |
N1 |
O3 |
138.007 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.