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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/cc-pVTZ
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
N1 |
0.0000 |
0.7373 |
0.0000 |
|
0.3271 |
0.6608 |
0.0000 |
S2 |
-0.8402 |
-0.5747 |
0.0000 |
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-1.0079 |
-0.1423 |
0.0000 |
F3 |
1.4936 |
0.4483 |
0.0000 |
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1.5375 |
-0.2609 |
0.0000 |
Atom - Atom Distances (Å)
|
N1 |
S2 |
F3 |
N1 |
| 1.5580 |
1.5213 |
S2 |
1.5580 |
| 2.5482 |
F3 |
1.5213 |
2.5482 |
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Maximum atom distance is 2.5482Å
between atoms S2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
S2 |
N1 |
F3 |
111.684 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.