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 SF4 (Sulfur tetrafluoride) 1A1 C2V

1910171554
InChI=1S/F4S/c1-5(2,3)4 INChIKey=QHMQWEPBXSHHLH-UHFFFAOYSA-N

B2PLYP=FULLultrafine/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.3804   0.0000 0.0000 0.3804
F2 0.0000 1.6459 0.2679   1.6459 0.0000 0.2679
F3 0.0000 -1.6459 0.2679   -1.6459 0.0000 0.2679
F4 1.2090 0.0000 -0.6061   0.0000 1.2090 -0.6061
F5 -1.2090 0.0000 -0.6061   0.0000 -1.2090 -0.6061
Atom - Atom Distances (Å)
  S1 F2 F3 F4 F5
S1 1.6497 1.6497 1.5604 1.5604
F2 1.6497 3.2918 2.2214 2.2214
F3 1.6497 3.2918 2.2214 2.2214
F4 1.5604 2.2214 2.2214 2.4179
F5 1.5604 2.2214 2.2214 2.4179
Maximum atom distance is 3.2918Å between atoms F2 and F3.
picture of Sulfur tetrafluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 S1 F3 172.179 F2 S1 F4 87.529
F2 S1 F5 87.529 F3 S1 F4 87.529
F3 S1 F5 87.529 F4 S1 F5 101.569

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