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	hartrees
Energy at 0K	-3181.186444
Energy at 298.15K	-3181.174365
HF Energy	-3180.073796
Nuclear repulsion energy	1193.724055

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.388	0.502
S2	2.388	0.000	0.502
S3	0.000	-2.388	0.502
S4	-2.388	0.000	0.502
S5	-1.688	1.688	-0.502
S6	-1.688	-1.688	-0.502
S7	1.688	-1.688	-0.502
S8	1.688	1.688	-0.502

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3769	4.7756	3.3769	2.0847	4.5247	4.5247	2.0847
S2	3.3769		3.3769	4.7756	4.5247	4.5247	2.0847	2.0847
S3	4.7756	3.3769		3.3769	4.5247	2.0847	2.0847	4.5247
S4	3.3769	4.7756	3.3769		2.0847	2.0847	4.5247	4.5247
S5	2.0847	4.5247	4.5247	2.0847		3.3769	4.7756	3.3769
S6	4.5247	4.5247	2.0847	2.0847	3.3769		3.3769	4.7756
S7	4.5247	2.0847	2.0847	4.5247	4.7756	3.3769		3.3769
S8	2.0847	2.0847	4.5247	4.5247	3.3769	4.7756	3.3769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.173	S1	S8	S2	108.173
S2	S7	S3	108.173	S3	S6	S4	108.173
S5	S1	S8	108.173	S5	S4	S6	108.173
S6	S3	S7	108.173	S7	S2	S8	108.173

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)