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Compare Calculated Bonds for S-C

17 01 10 14 40

B3LYP/aug-cc-pVQZ

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


Values greater than 1.90 are in the 1.90 bin. Values less than 1.45 are in the 1.45 bin.

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1.45 1.50 1.55 1.60 1.65 1.70 1.75 1.80 1.85 1.90
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.685 0.112

  Species Name Bond Length (Å)
Lowest value HCS+ Thioformyl cation 1.473
Highest value CH3CH2SH ethanethiol 1.834

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CS- carbon monosulfide anion 1.623 1 2
CS carbon monosulfide 1.533 1 2
HCS- Thioformyl anion 1.677 1 3
HCS+ Thioformyl cation 1.473 1 3
H2CS- thioformaldehyde anion 1.714 1 2
H2CS Thioformaldehyde 1.608 1 2
H2CS+ thioformaldehyde cation 1.589 1 2
H2CSH+ Thioformaldehyde, protonated 1.619 1 2
CH3SH Methanethiol 1.826 1 2
CH3SH+ Methanethiol cation 1.783 1 2
CS2- Carbon disulfide anion 1.634 1 2
    1.634 1 3
CS2 Carbon disulfide 1.555 1 2
    1.555 1 3
CS2+ Carbon disulfide cation 1.554 1 2
    1.554 1 3
OCS Carbonyl sulfide 1.564 1 3
OCS+ Carbonyl sulfide cation 1.633 1 3
SCN thiocyanato radical 1.628 1 2
SCSe Carbon sulfide selenide 1.551 1 2
CH2CS Thioketene 1.557 2 3
NHCHSH Methanimidothioic acid 1.762 2 3
C2H4S Thiirane 1.826 1 2
    1.826 1 3
CH2CHSH Ethenethiol 1.760 2 3
CH3SSH Hydrogen methyl disulfide 1.823 1 2
HSCH2SH Methanedithiol 1.823 1 2
    1.823 1 3
CH3CH2SH ethanethiol 1.834 2 3
CH3SCH3 Dimethyl sulfide 1.815 1 2
    1.815 1 3
CH3SCH3+ dimethyl sulfide cation 1.786 1 2
    1.786 1 3
Cl2CS Thiophosgene 1.600 1 2
CH2CHSCHCH2 Divinyl sulfide 1.759 1 2
    1.758 1 3