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

Listing of experimental geometry data for P2H4 (H2PPH2)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for P2H4 (H2PPH2).

Point Group C2

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
rPH 1.414 1 4 1976Hellwege(II/7) outside
rPH 1.417 1 3 1976Hellwege(II/7) inside
rPP 2.219 1 2 1976Hellwege(II/7)
aHPH 92 3 1 4 1976Hellwege(II/7)
aHPP 94.3 1 2 5 1976Hellwege(II/7) outside H
aHPP 99.1 1 2 6 1976Hellwege(II/7) inside H
dHPPH 74 3 1 2 6 1976Hellwege(II/7) Hs on different Ps
dHPPH 97.1 3 1 2 4 from HF/6-31G*, Hs on same P
picture of H2PPH2

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-P 4
P-P 1

Atom x (Å) y (Å) z (Å)
P1 0.0000 1.1096 -0.0080
P2 0.0000 -1.1096 -0.0080
H3 0.8420 1.3337 1.1094
H4 1.0127 1.2156 -0.9891
H5 -0.8420 -1.3337 1.1094
H6 -1.0127 -1.2156 -0.9891

Atom - Atom Distances (Å)
  P1 P2 H3 H4 H5 H6
P12.21911.41701.41402.81552.7193
P22.21912.81552.71931.41701.4140
H31.41702.81552.10883.15453.7871
H41.41402.71932.10883.78713.1643
H52.81551.41703.15453.78712.1088
H62.71931.41403.78713.16432.1088

Calculated geometries for P2H4 (H2PPH2).


References
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squib reference DOI
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  

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