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Listing of experimental geometry data for CH3SSH (Hydrogen methyl disulfide)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
0.56257 0.14817 0.12276
Rotational Constants from 1986Tyb/Ha:353
Calculated rotational constants for CH3SSH (Hydrogen methyl disulfide).

Point Group C1

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rSS 2.038 2 3 1986Tyb/Ha:353
rCS 1.823 1 2 1986Tyb/Ha:353
rHS 1.339 3 4 1986Tyb/Ha:353
rHC 1.089 1 6 1986Tyb/Ha:353
rHC 1.087 1 7 1986Tyb/Ha:353
rHC 1.087 1 5 1986Tyb/Ha:353
aCSS 102.5 1 2 3 1986Tyb/Ha:353
aHSS 98.3 2 3 4 1986Tyb/Ha:353
aHCS 106.6 2 1 6
aHCS 110.1 2 1 7 1986Tyb/Ha:353
aCHS 109.8 2 1 5 1986Tyb/Ha:353
dHCCS 88.9 1 2 3 4 1986Tyb/Ha:353
dHCSS 176.2 3 2 1 6 1986Tyb/Ha:353
dHCSS -65.1 3 2 1 7 1986Tyb/Ha:353
dHCSS 57.5 3 2 1 5 1986Tyb/Ha:353
picture of Hydrogen methyl disulfide

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 3
H-S 1
C-S 1
S-S 1
Atom x (Å) y (Å) z (Å)
C1 -1.6463 0.6787 -0.0033
S2 -0.4606 -0.7060 0.0127
S3 1.3362 0.2507 -0.0867
H4 1.5393 0.4174 1.2263
H5 -1.4978 1.2802 -0.8965
H6 -2.6411 0.2362 -0.0211
H7 -1.5319 1.2789 0.8957

Atom - Atom Distances (Å)
  C1 S2 S3 H4 H5 H6 H7
C11.82303.01413.42461.08701.08901.0870
S21.82302.03802.59502.41812.37562.4222
S33.01412.03801.33903.12203.97793.2012
H43.42462.59501.33903.80454.36633.2067
H51.08702.41813.12203.80451.77861.7925
H61.08902.37563.97794.36631.77861.7771
H71.08702.42223.20123.20671.79251.7771

Calculated geometries for CH3SSH (Hydrogen methyl disulfide).
References
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squib reference DOI
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) 10.1016/0022-2852(86)90052-4

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