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 |
---|---|
C8H8 | cubane |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.571 | 1998Kuc | 1 | 2 | |||
rCH | 1.097 | 1998Kuc | r0 values | 1 | 9 | ||
aCCC | 90.0 | symmetry | 1 | 2 | 4 | ||
aHCC | 125.3 | symmetry | 2 | 1 | 9 |
squib | reference |
---|---|
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |