Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
HClO4 | perchloric acid |
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 |
squib | reference |
---|---|
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 |