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

Listing of experimental geometry data for C5H8 (Spiropentane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
  0.13947  
Rotational Constants from
Calculated rotational constants for C5H8 (Spiropentane).

Point Group D2d

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
rCC 1.520 2 3 1976Hellwege(II/7)
rCC 1.470 1 2 1976Hellwege(II/7) from center
rCH 1.090 2 6 1976Hellwege(II/7)
aCCC 62 2 1 3 1976Hellwege(II/7) center C is center C
aHCH 118 6 2 7 1976Hellwege(II/7)
aCCC 59 1 2 3 symmetry
aCCC 137.3 2 1 4 by symmetry
picture of Spiropentane

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 6

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000

Atom - Atom Distances (Å)
  C1
C1

Calculated geometries for C5H8 (Spiropentane).


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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