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 SOF4 (Sulfur tetrafluoride oxide) 1A1 C2V

1910171554
InChI=1S/F4OS/c1-6(2,3,4)5 INChIKey=DUGWRBKBGKTKOX-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 0.1413   0.0000 0.0000 0.1413
O2 0.0000 0.0000 1.5685   0.0000 0.0000 1.5685
F3 0.0000 1.5874 -0.0972   1.5874 0.0000 -0.0972
F4 0.0000 -1.5874 -0.0972   -1.5874 0.0000 -0.0972
F5 1.3135 0.0000 -0.7255   0.0000 1.3135 -0.7255
F6 -1.3135 0.0000 -0.7255   0.0000 -1.3135 -0.7255
Atom - Atom Distances (Å)
  S1 O2 F3 F4 F5 F6
S1 1.4272 1.6053 1.6053 1.5738 1.5738
O2 1.4272 2.3010 2.3010 2.6435 2.6435
F3 1.6053 2.3010 3.1749 2.1541 2.1541
F4 1.6053 2.3010 3.1749 2.1541 2.1541
F5 1.5738 2.6435 2.1541 2.1541 2.6271
F6 1.5738 2.6435 2.1541 2.1541 2.6271
Maximum atom distance is 3.1749Å between atoms F3 and F4.
picture of Sulfur tetrafluoride oxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 S1 F3 98.543 O2 S1 F4 98.543
O2 S1 F5 123.421 O2 S1 F6 123.421
F3 S1 F4 162.914 F3 S1 F5 85.307
F3 S1 F6 85.307 F4 S1 F5 85.307
F4 S1 F6 85.307 F5 S1 F6 113.159

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