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Compare Calculated Bonds for C-S

17 01 10 14 40

QCISD(T)/TZVP

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
1.743 0.096

  Species Name Bond Length (Å)
Lowest value SCSe Carbon sulfide selenide 1.568
Highest value C(CH3)3SH 2-Propanethiol, 2-methyl- 1.858

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
H2CS- thioformaldehyde anion 1.733 1 2
H2CS Thioformaldehyde 1.630 1 2
H2CS+ thioformaldehyde cation 1.613 1 2
H2CSH+ Thioformaldehyde, protonated 1.639 1 2
CH3SH Methanethiol 1.836 1 2
CH3SH+ Methanethiol cation 1.815 1 2
CH3SH2+ protonated methylsulfide 1.847 1 2
CS2- Carbon disulfide anion 1.661 1 2
    1.661 1 3
CS2 Carbon disulfide 1.571 1 2
    1.571 1 3
OCS Carbonyl sulfide 1.578 1 3
SCSe Carbon sulfide selenide 1.568 1 2
HSCN thiocyanic acid 1.719 1 2
HNCS Isothiocyanic acid 1.584 2 3
CH2CS Thioketene 1.575 2 3
CHSNH2 thioformamide 1.651 1 2
NHCHSH Methanimidothioic acid 1.776 2 3
C2H4S Thiirane 1.842 1 2
    1.842 1 3
CH3SSH Hydrogen methyl disulfide 1.831 1 2
HSCH2SH Methanedithiol 1.832 1 2
    1.832 1 3
CH3CH2SH ethanethiol 1.840 2 3
CH3SCH3 Dimethyl sulfide 1.825 1 2
    1.825 1 3
CH3SCH3+ dimethyl sulfide cation 1.812 1 2
    1.812 1 3
CS3-- Carbonotrithioate 1.759 1 2
    1.759 1 3
    1.759 1 4
Cl2CS Thiophosgene 1.616 1 2
CH3CSNH2 Ethanethioamide 1.661 1 2
CH3CSCH3 Thioacetone 1.644 1 2
C3H3NS Thiazole 1.752 1 2
    1.740 1 3
CH3SO2NH2 methanesulfonamide 1.800 1 2
CH2CHSCHCH2 Divinyl sulfide 1.780 1 2
    1.779 1 3
C(CH3)3SH 2-Propanethiol, 2-methyl- 1.858 1 2
C4H9SH 1-Butanethiol 1.845 1 2
C2H4N2S2 Ethanedithioamide 1.672 1 3
    1.672 2 4
C3H6S3 1,3,5-Trithiane 1.829 1 4
    1.829 1 6
    1.829 2 4
    1.829 2 5
    1.829 3 5
    1.829 3 6