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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=
B2PLYP/3-21G
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
N1 |
0.0000 |
0.6606 |
0.0000 |
|
0.5516 |
0.3635 |
0.0000 |
S2 |
-0.5098 |
-0.9488 |
0.0000 |
|
-0.5117 |
-0.9478 |
0.0000 |
O3 |
1.0197 |
1.3197 |
0.0000 |
|
0.5407 |
1.5776 |
0.0000 |
Atom - Atom Distances (Å)
|
N1 |
S2 |
O3 |
N1 |
| 1.6882 |
1.2141 |
S2 |
1.6882 |
| 2.7360 |
O3 |
1.2141 |
2.7360 |
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Maximum atom distance is 2.7360Å
between atoms S2 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
S2 |
N1 |
O3 |
140.454 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.