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Geometry for CF2O (Carbonic difluoride) 1A1 C2V

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

B3LYPultrafine/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.3233   1.3233 0.0000 0.0000
C2 0.0000 0.0000 0.1429   0.1429 0.0000 0.0000
F3 0.0000 1.0686 -0.6358   -0.6358 1.0686 0.0000
F4 0.0000 -1.0686 -0.6358   -0.6358 -1.0686 0.0000
Atom - Atom Distances (Å)
  O1 C2 F3 F4
O1 1.1803 2.2316 2.2316
C2 1.1803 1.3223 1.3223
F3 2.2316 1.3223 2.1373
F4 2.2316 1.3223 2.1373
Maximum atom distance is 2.2316Å 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 126.080 O1 C2 F4 126.080
F3 C2 F4 107.839

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