National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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IV.D.4. (XII.A.2.)

Compare Experimental Geometries - experimental data

Species Name
HClO4 perchloric acid
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
rOCl 1.404 1994Cas/Mac:8339 ra 1 4   
rOCl 1.414 1994Cas/Mac:8339 ra 1 2   
rOCl 1.641 1994Cas/Mac:8339 ra 1 3   
rOH 0.980 1994Cas/Mac:8339 MP2/6-31G** value 3 6   
aOClO 115.0 1994Cas/Mac:8339   3 1 4  
aOClO 114.6 1994Cas/Mac:8339   4 1 5  
aOClO 101.5 1994Cas/Mac:8339   2 1 3  
aOClO 104.2 1994Cas/Mac:8339   2 1 4  
aHOCl 105.0 1994Cas/Mac:8339 MP2/6-31G** value 1 2 6  

picture of Water
References
squibreference
1994Cas/Mac:8339 B Casper, H-G Mack, HSP Muller, H Willner, H Oberhammer "Molecular Structures of Perchloric Acid and Halogen Perhclorates ClOClO3 and FOClO3" J. Phys. Chem. 1994, 90, 8339-8342