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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name |
---|---|
CH3CH2Cl | Ethyl chloride |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.510 | 1998Kuc | 1 | 2 | |||
rCCl | 1.789 | 1998Kuc | 2 | 6 | |||
rCH | 1.086 | 1998Kuc | next to Cl | 2 | 7 | ||
rCH | 1.090 | 1998Kuc | symmetric H | 1 | 3 | ||
rCH | 1.089 | 1998Kuc | 1 | 4 | |||
aCCCl | 111.0 | 1998Kuc | 1 | 2 | 6 | ||
aHCC | 110.5 | 1998Kuc | asymetric H on CH3 | 2 | 1 | 4 | |
aHCH | 108.3 | 1998Kuc | asymetric Hs on CH3 | 4 | 1 | 5 | |
aHCC | 109.3 | 1998Kuc | symmetric H on CH3 | 2 | 1 | 3 | |
aHCC | 111.8 | 1998Kuc | H on CH2Cl | 1 | 2 | 7 | |
aHCH | 109.0 | 1998Kuc | CH2Cl end | 7 | 2 | 8 |
squib | reference |
---|---|
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |