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Compare Calculated Bonds for S-C

17 01 10 14 40

B2PLYP=FULLultrafine/cc-pVTZ

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.

histogram chart 10 line line line line line line line line line line line line line line line line line line line line line line line line line line line
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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
1.735 0.097

  Species Name Bond Length (Å)
Lowest value CS2 Carbon disulfide 1.560
Highest value C3H6S Thietane 1.851

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
H2CS- thioformaldehyde anion 1.716 1 2
H2CS Thioformaldehyde 1.612 1 2
H2CS+ thioformaldehyde cation 1.592 1 2
CH3SH+ Methanethiol cation 1.784 1 2
CS2 Carbon disulfide 1.560 1 2
    1.560 1 3
OCS Carbonyl sulfide 1.567 1 3
CH2CS Thioketene 1.561 2 3
CHSNH2 thioformamide 1.640 1 2
NHCHSH Methanimidothioic acid 1.760 2 3
CH3SSH Hydrogen methyl disulfide 1.819 1 2
HSCH2SH Methanedithiol 1.819 1 2
    1.819 1 3
CH3CH2SH ethanethiol 1.829 2 3
CH3SCH3 Dimethyl sulfide 1.811 1 2
    1.811 1 3
CH3SCH3+ dimethyl sulfide cation 1.785 1 2
    1.785 1 3
CS3-- Carbonotrithioate 1.745 1 2
    1.745 1 3
    1.745 1 4
CH3SOCH3 Dimethyl sulfoxide 1.817 1 3
    1.817 1 4
C3H6S Thietane 1.851 1 2
    1.851 1 3
C3H3NS Thiazole 1.732 1 2
    1.718 1 3