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II.A.3. (XII.A.1.)

Listing of experimental geometry data for CF2O (Carbonic difluoride)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
0.39405 0.39204 0.19617
Rotational Constants from 1966Herzberg
Calculated rotational constants for CF2O (Carbonic difluoride).

Point Group C2v

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCF 1.312 2 3 1966Herzberg
rCO 1.174 1 2 1966Herzberg
aFCF 108 3 2 4 1966Herzberg
aOCF 126 1 2 3 1966Herzberg from symmetry
picture of Carbonic difluoride

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-F 2
C=O 1

Atom x (Å) y (Å) z (Å)
O1 0.0000 0.0000 1.3143
C2 0.0000 0.0000 0.1403
F3 0.0000 1.0614 -0.6309
F4 0.0000 -1.0614 -0.6309

Atom - Atom Distances (Å)
  O1 C2 F3 F4

Calculated geometries for CF2O (Carbonic difluoride).

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squib reference DOI
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  

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