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

Listing of experimental geometry data for PO2 (Phosphorus dioxide)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
3.48598 0.28681 0.26423
Rotational Constants from 1985Kaw/Sai:4893
Calculated rotational constants for PO2 (Phosphorus dioxide).

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
rPO 1.467 1 2 1985Kaw/Sai:4893 r0 structure
aOPO 135.28 2 1 3 1985Kaw/Sai:4893 r0 structure
picture of Phosphorus dioxide

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

Atom x (Å) y (Å) z (Å)
P1 0.0000 0.0000 0.2879
O2 0.0000 1.3563 -0.2699
O3 0.0000 -1.3563 -0.2699

Atom - Atom Distances (Å)
  P1 O2 O3

Calculated geometries for PO2 (Phosphorus dioxide).

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squib reference DOI
1985Kaw/Sai:4893 K Kawaguchi, S Saito, E Hirota "Far-Infrared laser magnetic resonance detection and microwave spectroscopy of the PO2 radical" J. Chem. Phys. 82(11), 1985, 4893 10.1063/1.448661

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