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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 FSN (Thiazyl fluoride)
1A' CS
1910171554
InChI=1S/FNS/c1-3-2 INChIKey=IMFUYZDKLVTPSW-UHFFFAOYSA-N
M06-2X/aug-cc-pVTZ
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
0.4374 |
0.0000 |
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-0.1911 |
-0.3935 |
0.0000 |
N2 |
1.3844 |
0.0527 |
0.0000 |
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-1.2683 |
0.5575 |
0.0000 |
F3 |
-1.0768 |
-0.8186 |
0.0000 |
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1.3262 |
0.2659 |
0.0000 |
Atom - Atom Distances (Å)
|
S1 |
N2 |
F3 |
S1 |
| 1.4369 |
1.6544 |
N2 |
1.4369 |
| 2.6108 |
F3 |
1.6544 |
2.6108 |
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Maximum atom distance is 2.6108Å
between atoms N2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
N2 |
S1 |
F3 |
115.074 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.