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 |
---|---|
CH3CCl3 | Ethane, 1,1,1-trichloro- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.093 | 1952Gho/Tra:605 | 1 | 3 | |||
rCCl | 1.767 | 1952Gho/Tra:605 | 2 | 6 | |||
rCC | 1.550 | 1952Gho/Tra:605 | 1 | 2 | |||
aHCH | 109.5 | 1952Gho/Tra:605 | 3 | 1 | 4 | ||
aClCCl | 110.4 | 1952Gho/Tra:605 | 6 | 2 | 7 | ||
aHCC | 109.5 | 1952Gho/Tra:605 | from symmetry | 2 | 1 | 3 | |
aCCCl | 108.5 | 1952Gho/Tra:605 | From symmetry | 1 | 2 | 6 |
squib | reference |
---|---|
1952Gho/Tra:605 | Ghosh, S., Trambarulo, R., Gordy, W., Microwave Spectra and Molecular Structures of Fluoroform, Chloroform, and Methyl Chloroform, J. of Chem. Phys., Vol. 20, #4, pgs. 605-607 |