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

Listing of experimental geometry data for C5H8O (2H-Pyran, 3,4-dihydro-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for C5H8O (2H-Pyran, 3,4-dihydro-).

Point Group C1

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
rCO 1.405 2 14 1992Kuchitsu(II/21) !assumed, C has a =
rCO 1.420 13 14 1992Kuchitsu(II/21) !assumed, C has a -
rCC 1.338 2 4 1992Kuchitsu(II/21) !assumed
rCC 1.510 4 7 1992Kuchitsu(II/21) !assumed, C has a =
rCC 1.530 7 10 1992Kuchitsu(II/21) !assumed
rCC 1.516 10 13 1992Kuchitsu(II/21) C has a -O
rCH 1.090 1 2 1992Kuchitsu(II/21) !assumed
aCCO 123.4 4 2 14 1992Kuchitsu(II/21) !assumed
aCCC 123.3 2 4 7 1992Kuchitsu(II/21) !assumed
aCCC 110.3 4 7 10 1992Kuchitsu(II/21) !assumed
aCOC 111.6 2 14 13 1992Kuchitsu(II/21) !assumed
aHCH 109 5 7 6 1992Kuchitsu(II/21) !assumed
picture of 2H-Pyran, 3,4-dihydro-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 8
C-C 3
C=C 1
C-O 2

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C5H8O (2H-Pyran, 3,4-dihydro-).


References
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squib reference DOI
1992Kuchitsu(II/21) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.  

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