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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
M06-2X/6-311+G(3df,2p)
Point group is Cs
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| S1 |
0.2458 |
0.3600 |
0.0000 |
| O2 |
-1.0445 |
0.9374 |
0.0000 |
| F3 |
0.2458 |
-0.7366 |
1.1413 |
| F4 |
0.2458 |
-0.7366 |
-1.1413 |
Atom - Atom Distances (Å)
| |
S1 |
O2 |
F3 |
F4 |
| S1 |
| 1.4136 |
1.5827 |
1.5827 |
| O2 |
1.4136 |
| 2.4020 |
2.4020 |
| F3 |
1.5827 |
2.4020 |
| 2.2825 |
| F4 |
1.5827 |
2.4020 |
2.2825 |
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Maximum atom distance is 2.4020Å
between atoms O2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
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O2 |
S1 |
F3 |
106.441 |
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O2 |
S1 |
F4 |
106.441 |
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F3 |
S1 |
F4 |
92.285 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.