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 |
---|---|
HNCS | Isothiocyanic acid |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rHN | 0.993 | 1998Kuc | 1 | 4 | |||
rCN | 1.207 | 1998Kuc | 1 | 2 | |||
rCS | 1.567 | 1998Kuc | 2 | 3 | |||
aHNC | 131.7 | 1998Kuc | 2 | 1 | 4 | ||
aNCS | 173.8 | 1998Kuc | trans to H | 1 | 2 | 3 |
squib | reference |
---|---|
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |