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 |
---|---|
C2H4O4 | Formic acid dimer |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCO | 1.217 | 1998Kuc | 1 | 3 | |||
rCO | 1.320 | 1998Kuc | 1 | 5 | |||
rOH | 1.033 | 1998Kuc | 5 | 19 | |||
rOO | 2.696 | 1998Kuc | 3 | 6 | |||
rOO | 2.262 | 1998Kuc | 3 | 5 | |||
aOCO | 126.2 | 1998Kuc | 3 | 1 | 5 | ||
aCOO | 108.5 | 1998Kuc | 1 | 5 | 4 |
squib | reference |
---|---|
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |