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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 F2SO (Thionyl Fluoride)
1A' CS
1910171554
InChI=1S/F2OS/c1-4(2)3 INChIKey=LSJNBGSOIVSBBR-UHFFFAOYSA-N
QCISD/6-31G(2df,p)
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| S1 |
0.2473 |
0.3573 |
0.0000 |
|
0.1370 |
0.2059 |
0.3573 |
| O2 |
-1.0510 |
0.9446 |
0.0000 |
|
-0.5823 |
-0.8749 |
0.9446 |
| F3 |
0.2473 |
-0.7374 |
1.1446 |
|
1.0898 |
-0.4284 |
-0.7374 |
| F4 |
0.2473 |
-0.7374 |
-1.1446 |
|
-0.8158 |
0.8401 |
-0.7374 |
Atom - Atom Distances (Å)
| |
S1 |
O2 |
F3 |
F4 |
| S1 |
| 1.4249 |
1.5838 |
1.5838 |
| O2 |
1.4249 |
| 2.4134 |
2.4134 |
| F3 |
1.5838 |
2.4134 |
| 2.2892 |
| F4 |
1.5838 |
2.4134 |
2.2892 |
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Maximum atom distance is 2.4134Å
between atoms O2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
O2 |
S1 |
F3 |
106.552 |
|
O2 |
S1 |
F4 |
106.552 |
|
F3 |
S1 |
F4 |
92.556 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.