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Compare Calculated Bonds for S-S

17 01 10 14 40

B3PW91/cc-pVDZ

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


Values greater than 3.40 are in the 3.40 bin. Values less than 1.80 are in the 1.80 bin.

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1.80 2.00 2.20 2.40 2.60 2.80 3.00 3.20 3.40
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.074 0.204

  Species Name Bond Length (Å)
Lowest value S2+ sulfur diatomic cation 1.841
Highest value S4 Sulfur tetramer 3.098

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
S2- sulfur diatomic anion 2.043 1 2
S2 Sulfur diatomic 1.921 1 2
S2+ sulfur diatomic cation 1.841 1 2
HS2 Thiosulfeno radical 1.997 1 2
H2S2 Disulfane 2.087 1 2
H2S2+ hydrogen disulfide cation 2.021 1 2
S3- Sulfur trimer anion 2.031 1 2
    2.031 1 3
S3 Sulfur trimer 1.946 1 2
    1.946 1 3
S3+ Sulfur trimer cation 1.952 1 2
    1.952 1 3
SSO Disulfur monoxide 1.924 2 3
ClS2 Sulfur chloride 1.930 2 3
HSSSH trisulfane 2.088 1 2
    2.088 1 3
CH3SSH Hydrogen methyl disulfide 2.081 2 3
Si3H8 trisilane 2.355 1 2
    2.355 1 3
S4 Sulfur tetramer 2.196 1 2
    1.927 1 3
    1.927 2 4
    3.098 3 4
FSSF Difluorodisulfane 1.935 1 2
S2F2 Thio-thionyl fluoride 1.888 1 2
ClSSCl Disulfur dichloride 1.976 1 2
CH3SSCH3 Disulfide, dimethyl 2.074 1 2
CH3SSSCH3 dimethyl trisulfide 2.085 1 2
    2.085 1 3
S8 Octasulfur 2.090 1 5
    2.090 4 5
    2.090 3 6
    2.090 4 6
    2.090 2 7
    2.090 3 7
    2.090 1 8
    2.090 2 8
S2F10 disulphur decafluoride 2.314 1 2