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Compare Experimental Geometries - experimental data

Species Name
H2CCCCH2 Butatriene
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
rCH 1.083 1976Hellwege(II/7)   3 5   
rCC 1.318 1976Hellwege(II/7)   1 3   
rCC 1.283 1976Hellwege(II/7)   1 2   
aHCH 117.0 1976Hellwege(II/7) !assumed 5 3 6  
aHCC 121.5 1976Hellwege(II/7) by symmetry 1 3 5  

picture of
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.