National Institute of Standards and Technology

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

---

NIST policy on privacy, security, and accessibility.

---

© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

II.B.3. (XII.A.3.)

List of experimental bond lengths for bond type rSS

Bond lengths in Å.
Click on an entry for more experimental geometry data.

bond type	Species	Name	Length	Comment
rS=S	S2+	sulfur diatomic cation	1.825	re
rS=S	SSO	Disulfur monoxide	1.884	re value
rS=S	S2	Sulfur diatomic	1.889	re
rSS	FSSF	Difluorodisulfane	1.890
rS=S	S4	Sulfur tetramer	1.898
rSS	ClS2	Sulfur chloride	1.906
rSS	S3	Sulfur trimer	1.917
rSS	ClSSCl	Disulfur dichloride	1.931
rSS	CH3SSCH3	Disulfide, dimethyl	2.038
rSS	CH3SSH	Hydrogen methyl disulfide	2.038
rSS	HSSSH	trisulfane	2.053
rSS	HSSSH	trisulfane	2.054	reI
rSS	H2S2	Disulfane	2.056
rSS	S8	Octasulfur	2.059
rSS	S4	Sulfur tetramer	2.155
Average			1.973	±0.095
Min			1.825
Max			2.155