return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

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
Maximum atom distance is 2.4020Å between atoms O2 and F3.
picture of Thionyl Fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 S1 F3 106.441 O2 S1 F4 106.441
F3 S1 F4 92.285

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.