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

Listing of experimental geometry data for O3 (Ozone)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
3.55348 0.44525 0.39479
Rotational Constants from 1966Herzberg
Calculated rotational constants for O3 (Ozone).

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
rOO 1.278 1 2 1966Herzberg
aOOO 116.8 2 1 3 1966Herzberg
picture of Ozone

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

Atom x (Å) y (Å) z (Å)
O1 0.0000 0.0000 0.0000
O2 0.0000 1.0885 0.6697
O3 0.0000 -1.0885 0.6697

Atom - Atom Distances (Å)
  O1 O2 O3
O11.27801.2780
O21.27802.1770
O31.27802.1770

Calculated geometries for O3 (Ozone).


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

Got a better number? Please email us at cccbdb@nist.gov


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