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	hartrees
Energy at 0K	-3181.787319
Energy at 298.15K
HF Energy	-3180.408039
Nuclear repulsion energy	1211.612662

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.348	0.503
S2	2.348	0.000	0.503
S3	0.000	-2.348	0.503
S4	-2.348	0.000	0.503
S5	-1.660	1.660	-0.503
S6	-1.660	-1.660	-0.503
S7	1.660	-1.660	-0.503
S8	1.660	1.660	-0.503

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3203	4.6956	3.3203	2.0590	4.4531	4.4531	2.0590
S2	3.3203		3.3203	4.6956	4.4531	4.4531	2.0590	2.0590
S3	4.6956	3.3203		3.3203	4.4531	2.0590	2.0590	4.4531
S4	3.3203	4.6956	3.3203		2.0590	2.0590	4.4531	4.4531
S5	2.0590	4.4531	4.4531	2.0590		3.3203	4.6956	3.3203
S6	4.4531	4.4531	2.0590	2.0590	3.3203		3.3203	4.6956
S7	4.4531	2.0590	2.0590	4.4531	4.6956	3.3203		3.3203
S8	2.0590	2.0590	4.4531	4.4531	3.3203	4.6956	3.3203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	107.471	S1	S8	S2	107.471
S2	S7	S3	107.471	S3	S6	S4	107.471
S5	S1	S8	107.471	S5	S4	S6	107.471
S6	S3	S7	107.471	S7	S2	S8	107.471

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP2/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for S8 (Octasulfur)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for S₈ (Octasulfur)