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Geometry for CF2O (Carbonic difluoride) 1A1 C2V

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

B3LYP/aug-cc-pVQZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.3144   1.3144 0.0000 0.0000
C2 0.0000 0.0000 0.1447   0.1447 0.0000 0.0000
F3 0.0000 1.0647 -0.6324   -0.6324 1.0647 0.0000
F4 0.0000 -1.0647 -0.6324   -0.6324 -1.0647 0.0000
Atom - Atom Distances (Å)
  O1 C2 F3 F4
O1 1.1697 2.2189 2.2189
C2 1.1697 1.3181 1.3181
F3 2.2189 1.3181 2.1294
F4 2.2189 1.3181 2.1294
Maximum atom distance is 2.2189Å 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 126.125 O1 C2 F4 126.125
F3 C2 F4 107.750

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