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 ClOF (Chlorine hypofluorite) 1A' CS

1910171554
InChI=1S/ClFO/c1-3-2 INChIKey=OBSJTVYTJSDZEO-UHFFFAOYSA-N

B3LYP/aug-cc-pVQZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.7522 -0.6900 0.0000   -1.0120 -0.1329 0.0000
O2 0.0000 0.8122 0.0000   0.4665 0.6649 0.0000
F3 1.4208 0.5814 0.0000   1.4970 -0.3400 0.0000
Atom - Atom Distances (Å)
  Cl1 O2 F3
Cl1 1.6800 2.5176
O2 1.6800 1.4394
F3 2.5176 1.4394
Maximum atom distance is 2.5176Å between atoms Cl1 and F3.
picture of Chlorine hypofluorite
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 O2 F3 107.370

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