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Compare Calculated Bonds for S-C

17 01 10 14 40

B97D3/6-311G*

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.95 are in the 1.95 bin. Values less than 1.55 are in the 1.55 bin.

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1.55 1.60 1.65 1.70 1.75 1.80 1.85 1.90 1.95
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.759 0.097

  Species Name Bond Length (Å)
Lowest value SCSe Carbon sulfide selenide 1.565
Highest value C(CH3)3SH 2-Propanethiol, 2-methyl- 1.875

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
H2CS- thioformaldehyde anion 1.739 1 2
H2CS Thioformaldehyde 1.621 1 2
H2CS+ thioformaldehyde cation 1.602 1 2
CH3SH Methanethiol 1.837 1 2
CH3SH2+ protonated methylsulfide 1.849 1 2
CS2 Carbon disulfide 1.566 1 2
    1.566 1 3
OCS Carbonyl sulfide 1.573 1 3
SCSe Carbon sulfide selenide 1.565 1 2
HSCN thiocyanic acid 1.702 1 2
HNCS Isothiocyanic acid 1.579 2 3
CH2CS Thioketene 1.569 2 3
CHSNH2 thioformamide 1.650 1 2
NHCHSH Methanimidothioic acid 1.775 2 3
C2H4S Thiirane 1.835 1 2
    1.835 1 3
CH2CHSH Ethenethiol 1.771 2 3
CH3SSH Hydrogen methyl disulfide 1.833 1 2
HSCH2SH Methanedithiol 1.835 1 2
    1.835 1 3
CH3CHS Thioacetaldehyde 1.630 1 3
CH3CH2SH ethanethiol 1.846 2 3
CH3SCH3 Dimethyl sulfide 1.825 1 2
    1.825 1 3
CH3SCH3+ dimethyl sulfide cation 1.797 1 2
    1.797 1 3
CS3-- Carbonotrithioate 1.758 1 2
    1.758 1 3
    1.758 1 4
CH3CSNH2 Ethanethioamide 1.665 1 2
CH3SOCH3 Dimethyl sulfoxide 1.849 1 3
    1.849 1 4
C3H3NS Thiazole 1.756 1 2
    1.735 1 3
CH3SO2NH2 methanesulfonamide 1.805 1 2
C2H6O2S Dimethyl sulfone 1.818 1 4
    1.818 1 5
CH2CHSCHCH2 Divinyl sulfide 1.770 1 2
    1.771 1 3
C(CH3)3SH 2-Propanethiol, 2-methyl- 1.875 1 2
C4H9SH 1-Butanethiol 1.849 1 2
C3H6S3 1,3,5-Trithiane 1.831 1 4
    1.831 1 6
    1.831 2 4
    1.831 2 5
    1.831 3 5
    1.831 3 6