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 SF3 (Sulfur trifluoride) 2A' CS

1910171554
InChI=1S/F3S/c1-4(2)3 INChIKey=PSCXEUSWZWRCMQ-UHFFFAOYSA-N

B1B95/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 -0.3354 -0.3326 0.0000   0.3283 -0.0537 -0.3354
F2 1.2669 0.2274 0.0000   -0.2244 0.0367 1.2669
F3 -0.3354 0.1820 1.6918   -0.4526 -1.6402 -0.3354
F4 -0.3354 0.1820 -1.6918   0.0934 1.6990 -0.3354
Atom - Atom Distances (Å)
  S1 F2 F3 F4
S1 1.6973 1.7683 1.7683
F2 1.6973 2.3305 2.3305
F3 1.7683 2.3305 3.3836
F4 1.7683 2.3305 3.3836
Maximum atom distance is 3.3836Å between atoms F3 and F4.
picture of Sulfur trifluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 S1 F3 84.489 F2 S1 F4 84.489
F3 S1 F4 146.161

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