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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=
HSEh1PBE/6-31+G**
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
N1 |
0.0000 |
0.6187 |
0.0000 |
|
0.5168 |
-0.3402 |
0.0000 |
S2 |
-0.5095 |
-0.8851 |
0.0000 |
|
-1.0194 |
0.0611 |
0.0000 |
O3 |
1.0189 |
1.2288 |
0.0000 |
|
1.5866 |
0.1755 |
0.0000 |
Atom - Atom Distances (Å)
|
N1 |
S2 |
O3 |
N1 |
| 1.5878 |
1.1876 |
S2 |
1.5878 |
| 2.6085 |
O3 |
1.1876 |
2.6085 |
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Maximum atom distance is 2.6085Å
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 |
139.623 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.