National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 19April 2018
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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

Listing of experimental geometry data for FO2 (Dioxygen monofluoride)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
2.61900 0.33401 0.29537
Rotational Constants from 1984Yam/Hir:4694
Calculated rotational constants for FO2 (Dioxygen monofluoride).

Point Group Cs

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
rOO 1.200 1 2 1984Yam/Hir:4694
rFO 1.649 2 3 1984Yam/Hir:4694
aOOF 111.19 1 2 3 1984Yam/Hir:4694
picture of Dioxygen monofluoride

Bond descriptions

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

Atom x (Å) y (Å) z (Å)
O1 1.1475 0.2276 0.0000
O2 0.0000 0.5789 0.0000
F3 -1.0200 -0.7169 0.0000

Atom - Atom Distances (Å)

  O1 O2 F3

Calculated geometries for FO2 (Dioxygen monofluoride).
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squib reference DOI
1984Yam/Hir:4694 Yamada, C.; Hirota, E. "The Infrared diode laser spectrum of the (nu)2 band of the FO2 radical." Journal of Chemical Physics. 80, 4694-4700 (1984) 10.1063/1.446534

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