return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for S-C

17 01 10 14 40

MP2=FULL/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 1.50 are in the 1.50 bin.

histogram chart 12 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
histogram chart 10 line line line line line line line line line line line line line line line line line line line histogram chart line line line line line line line
histogram chart 8 line line line line line line line line line line line line line line line line line line line histogram chart line line line line line line line
histogram chart 6 line line line line histogram chart line line line line line line line line line line line histogram chart line line histogram chart line line line line line line line
histogram chart 4 line line line line histogram chart line line line line line line line line line line line histogram chart line line histogram chart line line line line line line line
histogram chart 2 line line line line histogram chart 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
histogram chart 0 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 line line line line line
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
1.700 0.101

  Species Name Bond Length (Å)
Lowest value CS carbon monosulfide 1.534
Highest value CH3CH2SH ethanethiol 1.809

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CS carbon monosulfide 1.534 1 2
HCS- Thioformyl anion 1.669 1 3
H2CS- thioformaldehyde anion 1.695 1 2
H2CS Thioformaldehyde 1.606 1 2
H2CS+ thioformaldehyde cation 1.562 1 2
H2CSH+ Thioformaldehyde, protonated 1.608 1 2
CH3SH Methanethiol 1.805 1 2
CH3SH+ Methanethiol cation 1.769 1 2
CS2- Carbon disulfide anion 1.626 1 2
    1.626 1 3
CS2 Carbon disulfide 1.555 1 2
    1.555 1 3
OCS Carbonyl sulfide 1.558 1 3
SCSe Carbon sulfide selenide 1.555 1 2
CH2CS Thioketene 1.552 2 3
NHCHSH Methanimidothioic acid 1.745 2 3
C2H4S Thiirane 1.808 1 2
    1.808 1 3
CH2CHSH Ethenethiol 1.747 2 3
CH3SSH Hydrogen methyl disulfide 1.800 1 2
HSCH2SH Methanedithiol 1.802 1 2
    1.802 1 3
CH3CH2SH ethanethiol 1.809 2 3
CH3SCH3 Dimethyl sulfide 1.794 1 2
    1.794 1 3
CH3SCH3+ dimethyl sulfide cation 1.767 1 2
    1.767 1 3
Cl2CS Thiophosgene 1.599 1 2
CH3SOCH3 Dimethyl sulfoxide 1.792 1 3
    1.792 1 4
CH2CHSCHCH2 Divinyl sulfide 1.744 1 2
    1.743 1 3