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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 FNS (Thionitrosyl fluoride)
1A' CS
1910171554
InChI=1S/FNS/c1-2-3 INChIKey=VOGIKJZKYJITFG-UHFFFAOYSA-N
BLYP/aug-cc-pVTZ
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| N1 |
0.0000 |
0.7357 |
0.0000 |
|
-0.3197 |
-0.6626 |
0.0000 |
| S2 |
-0.8518 |
-0.5598 |
0.0000 |
|
1.0104 |
0.1340 |
0.0000 |
| F3 |
1.5143 |
0.4230 |
0.0000 |
|
-1.5476 |
0.2771 |
0.0000 |
Atom - Atom Distances (Å)
| |
N1 |
S2 |
F3 |
| N1 |
| 1.5504 |
1.5462 |
| S2 |
1.5504 |
| 2.5620 |
| F3 |
1.5462 |
2.5620 |
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Maximum atom distance is 2.5620Å
between atoms S2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
S2 |
N1 |
F3 |
111.658 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.