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 |
---|---|
CH3SOCH3 | Dimethyl sulfoxide |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCS | 1.799 | 1998Kuc | 1 | 3 | |||
rSO | 1.485 | 1998Kuc | 1 | 2 | |||
rCH | 1.054 | 1998Kuc | 3 | 7 | |||
rCH | 1.097 | 1998Kuc | 3 | 8 | |||
rCH | 1.093 | 1998Kuc | 3 | 5 | |||
aCSC | 96.6 | 1998Kuc | 3 | 1 | 4 | ||
aCSO | 106.5 | 1998Kuc | 2 | 1 | 3 | ||
aHCS | 108.3 | 1998Kuc | 1 | 3 | 7 | ||
aHCS | 108.2 | 1998Kuc | 1 | 3 | 8 | ||
aHCS | 109.6 | 1998Kuc | 1 | 3 | 5 | ||
aHCH | 113.6 | 1998Kuc | 7 | 3 | 8 | ||
aHCH | 106.6 | 1998Kuc | 5 | 3 | 7 | ||
aHCH | 110.6 | 1998Kuc | 5 | 3 | 8 |
squib | reference |
---|---|
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |