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 SF2 (sulfur difluoride) 1A1 C2V

1910171554
InChI=1S/F2S/c1-3-2 INChIKey=QTJXVIKNLHZIKL-UHFFFAOYSA-N

CCSD(T)=FULL/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.5748   0.5748 0.0000 0.0000
F2 0.0000 1.2426 -0.5109   -0.5109 0.0000 1.2426
F3 0.0000 -1.2426 -0.5109   -0.5109 0.0000 -1.2426
Atom - Atom Distances (Å)
  S1 F2 F3
S1 1.6501 1.6501
F2 1.6501 2.4852
F3 1.6501 2.4852
Maximum atom distance is 2.4852Å between atoms F2 and F3.
picture of sulfur difluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 S1 F3 97.711

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