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Compare Calculated Bonds for C-S

17 01 10 14 40

LSDA/aug-cc-pVTZ

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


Values greater than 2.00 are in the 2.00 bin. Values less than 1.45 are in the 1.45 bin.

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histogram chart 1 line line line line histogram chart line line line line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line line line line line line line line line line line line
histogram chart 0 line line line line histogram chart line line line line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line line line
1.45 1.50 1.55 1.60 1.65 1.70 1.75 1.80 1.85 1.90 1.95 2.00
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.705 0.103

  Species Name Bond Length (Å)
Lowest value HCS+ Thioformyl cation 1.477
Highest value SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1.910

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CS- carbon monosulfide anion 1.613 1 2
CS+ carbon monosulfide cation 1.492 1 2
HCS- Thioformyl anion 1.665 1 3
HCS+ Thioformyl cation 1.477 1 3
H2CS- thioformaldehyde anion 1.697 1 2
H2CS Thioformaldehyde 1.604 1 2
H2CS+ thioformaldehyde cation 1.576 1 2
H2CSH+ Thioformaldehyde, protonated 1.612 1 2
CH3SH Methanethiol 1.800 1 2
CH3SH+ Methanethiol cation 1.741 1 2
CH3SH2+ protonated methylsulfide 1.796 1 2
CS2- Carbon disulfide anion 1.624 1 2
    1.624 1 3
OCS+ Carbonyl sulfide cation 1.611 1 3
CH3CH2SH ethanethiol 1.808 2 3
Cl2CS Thiophosgene 1.597 1 2
CH3CSCH3 Thioacetone 1.626 1 2
CH3SO2NH2 methanesulfonamide 1.761 1 2
C2H6O2S Dimethyl sulfone 1.770 1 4
    1.770 1 5
CH2CHSCHCH2 Divinyl sulfide 1.733 1 2
    1.734 1 3
C(CH3)3SH 2-Propanethiol, 2-methyl- 1.832 1 2
C2H4N2S2 Ethanedithioamide 1.653 1 3
    1.653 2 4
C3H6S3 1,3,5-Trithiane 1.795 1 4
    1.795 1 6
    1.795 2 4
    1.795 2 5
    1.795 3 5
    1.795 3 6
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1.910 1 2