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 CF2O (Carbonic difluoride) 1A1 C2V

1910171554
InChI=1S/CF2O/c2-1(3)4 INChIKey=IYRWEQXVUNLMAY-UHFFFAOYSA-N

B2PLYP=FULL/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.3161   1.3161 0.0000 0.0000
C2 0.0000 0.0000 0.1433   0.1433 0.0000 0.0000
F3 0.0000 1.0620 -0.6327   -0.6327 1.0620 0.0000
F4 0.0000 -1.0620 -0.6327   -0.6327 -1.0620 0.0000
Atom - Atom Distances (Å)
  O1 C2 F3 F4
O1 1.1728 2.2194 2.2194
C2 1.1728 1.3153 1.3153
F3 2.2194 1.3153 2.1241
F4 2.2194 1.3153 2.1241
Maximum atom distance is 2.2194Å between atoms O1 and F3.
picture of Carbonic difluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 F3 126.152 O1 C2 F4 126.152
F3 C2 F4 107.696

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