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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
mPW1PW91/6-311G*
Point group is Cs
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
0.4379 |
0.0000 |
|
-0.1840 |
-0.3973 |
0.0000 |
N2 |
1.4032 |
0.0947 |
0.0000 |
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-1.3131 |
0.5038 |
0.0000 |
F3 |
-1.0914 |
-0.8521 |
0.0000 |
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1.3484 |
0.3145 |
0.0000 |
Atom - Atom Distances (Å)
|
S1 |
N2 |
F3 |
S1 |
| 1.4446 |
1.6897 |
N2 |
1.4446 |
| 2.6682 |
F3 |
1.6897 |
2.6682 |
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Maximum atom distance is 2.6682Å
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 |
116.490 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.