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

CCD/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.4273   0.0000 0.0000 0.4273
F2 0.0000 1.6874 0.1534   1.6874 0.0000 0.1534
F3 0.0000 -1.6874 0.1534   -1.6874 0.0000 0.1534
F4 1.3520 0.0000 -0.5332   0.0000 1.3520 -0.5332
F5 -1.3520 0.0000 -0.5332   0.0000 -1.3520 -0.5332
Atom - Atom Distances (Å)
  S1 F2 F3 F4 F5
S1 1.7095 1.7095 1.6584 1.6584
F2 1.7095 3.3748 2.2686 2.2686
F3 1.7095 3.3748 2.2686 2.2686
F4 1.6584 2.2686 2.2686 2.7040
F5 1.6584 2.2686 2.2686 2.7040
Maximum atom distance is 3.3748Å 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 161.559 F2 S1 F4 84.676
F2 S1 F5 84.676 F3 S1 F4 84.676
F3 S1 F5 84.676 F4 S1 F5 109.222

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