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

Listing of experimental geometry data for B3N3H6 (borazine)

No experimental rotational constants available.
Calculated rotational constants for B3N3H6 (borazine).

Point Group D3h

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
rBN 1.436 1 6 1976Hellwege(II/7)
rHN 1.050 1 7 1976Hellwege(II/7)
aNBN 117.7 1 5 3 1976Hellwege(II/7)
aBNB 121.1 4 2 6 1976Hellwege(II/7)
aHNB 119.5 6 1 7 1976Hellwege(II/7)
aHBN 121.2 2 4 10 1976Hellwege(II/7)
picture of borazine

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
B:N 6
H-N 3
H-B 3

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for B3N3H6 (borazine).

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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