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 |
---|---|
CH3SSH | Hydrogen methyl disulfide |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rSS | 2.038 | 1986Tyb/Ha:353 | 2 | 3 | |||
rCS | 1.823 | 1986Tyb/Ha:353 | 1 | 2 | |||
rHS | 1.339 | 1986Tyb/Ha:353 | 3 | 4 | |||
rHC | 1.089 | 1986Tyb/Ha:353 | 1 | 6 | |||
rHC | 1.087 | 1986Tyb/Ha:353 | 1 | 7 | |||
rHC | 1.087 | 1986Tyb/Ha:353 | 1 | 5 | |||
aCSS | 102.5 | 1986Tyb/Ha:353 | 1 | 2 | 3 | ||
aHSS | 98.3 | 1986Tyb/Ha:353 | 2 | 3 | 4 | ||
aHCS | 106.6 | 2 | 1 | 6 | |||
aHCS | 110.1 | 1986Tyb/Ha:353 | 2 | 1 | 7 | ||
aCHS | 109.8 | 1986Tyb/Ha:353 | 2 | 1 | 5 | ||
dHCCS | 88.9 | 1986Tyb/Ha:353 | 1 | 2 | 3 | 4 | |
dHCSS | 176.2 | 1986Tyb/Ha:353 | 3 | 2 | 1 | 6 | |
dHCSS | -65.1 | 1986Tyb/Ha:353 | 3 | 2 | 1 | 7 | |
dHCSS | 57.5 | 1986Tyb/Ha:353 | 3 | 2 | 1 | 5 |
squib | reference |
---|---|
1986Tyb/Ha:353 | M Tyblewski, T-K Ha, A Bauder "Microwave Spectrum, Electric Dipole Moment, Internal Rotation Barrier, and Molecular Structure of Methyl Hydrodisulfide" J. Mol. Spect. 115, 353-365 (1986) |