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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
LSDA/6-31+G**
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
0.4389 |
0.0000 |
|
-0.1831 |
-0.3989 |
0.0000 |
N2 |
1.4198 |
0.0975 |
0.0000 |
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-1.3310 |
0.5037 |
0.0000 |
F3 |
-1.1043 |
-0.8562 |
0.0000 |
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1.3608 |
0.3174 |
0.0000 |
Atom - Atom Distances (Å)
|
S1 |
N2 |
F3 |
S1 |
| 1.4603 |
1.7020 |
N2 |
1.4603 |
| 2.6982 |
F3 |
1.7020 |
2.6982 |
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Maximum atom distance is 2.6982Å
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 |
116.933 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.