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

CCSD=FULL/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.3874   0.0000 0.0000 0.3874
F2 0.0000 1.6678 0.2692   1.6678 0.0000 0.2692
F3 0.0000 -1.6678 0.2692   -1.6678 0.0000 0.2692
F4 1.2131 0.0000 -0.6136   0.0000 1.2131 -0.6136
F5 -1.2131 0.0000 -0.6136   0.0000 -1.2131 -0.6136
Atom - Atom Distances (Å)
  S1 F2 F3 F4 F5
S1 1.6720 1.6720 1.5727 1.5727
F2 1.6720 3.3357 2.2433 2.2433
F3 1.6720 3.3357 2.2433 2.2433
F4 1.5727 2.2433 2.2433 2.4261
F5 1.5727 2.2433 2.2433 2.4261
Maximum atom distance is 3.3357Å 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 171.896 F2 S1 F4 87.422
F2 S1 F5 87.422 F3 S1 F4 87.422
F3 S1 F5 87.422 F4 S1 F5 100.943

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