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 F2O (Difluorine monoxide) 1A1 C2V

1910171554
InChI=1S/F2O/c1-3-2 INChIKey=UJMWVICAENGCRF-UHFFFAOYSA-N

B1B95/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.5934   0.5934 0.0000 0.0000
F2 0.0000 1.0964 -0.2637   -0.2637 0.0000 1.0964
F3 0.0000 -1.0964 -0.2637   -0.2637 0.0000 -1.0964
Atom - Atom Distances (Å)
  O1 F2 F3
O1 1.3916 1.3916
F2 1.3916 2.1927
F3 1.3916 2.1927
Maximum atom distance is 2.1927Å between atoms F2 and F3.
picture of Difluorine monoxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 O1 F3 103.963

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