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Compare Experimental Geometries - experimental data

Species Name
CH2O2 Dioxirane
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 1.090 1978Sue/Lov:5117 rs 1 2   
rCO 1.388 1978Sue/Lov:5117 rs 1 4   
rOO 1.516 1978Sue/Lov:5117 rs 4 5   
aHCH 117.3 1978Sue/Lov:5117   2 1 3  
aOCO 66.2 1978Sue/Lov:5117   4 1 5  
aCOO 56.9 1978Sue/Lov:5117 by symmetry 1 4 5  
aHCO 115.8 1978Sue/Lov:5117 from symmetry 2 1 4  

picture of
1978Sue/Lov:5117 RD Suenram, FJ Lovas "Dioxirane. Its Synthesis, Microwave Spectrum, Structure, and Dipole Moment" J. Am. Chem. Soc.100, 5117, 1978