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 |
---|---|
CH3COCl | Acetyl Chloride |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCO | 1.187 | 1998Kuc | rg | 1 | 3 | ||
rCCl | 1.798 | 1998Kuc | rg | 1 | 4 | ||
rCC | 1.506 | 1998Kuc | rg | 1 | 2 | ||
rCH | 1.105 | 1998Kuc | rg | 2 | 5 | ||
aOCCl | 121.2 | 1998Kuc | 3 | 1 | 4 | ||
aCCCl | 111.6 | 1998Kuc | 2 | 1 | 4 | ||
aHCH | 108.6 | 1998Kuc | 5 | 2 | 6 |
squib | reference |
---|---|
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |