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	hartrees
Energy at 0K	-3182.622501
Energy at 298.15K
Nuclear repulsion energy	1222.981393

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.326	0.497
S2	2.326	0.000	0.497
S3	0.000	-2.326	0.497
S4	-2.326	0.000	0.497
S5	-1.645	1.645	-0.497
S6	-1.645	-1.645	-0.497
S7	1.645	-1.645	-0.497
S8	1.645	1.645	-0.497

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.2901	4.6529	3.2901	2.0391	4.4120	4.4120	2.0391
S2	3.2901		3.2901	4.6529	4.4120	4.4120	2.0391	2.0391
S3	4.6529	3.2901		3.2901	4.4120	2.0391	2.0391	4.4120
S4	3.2901	4.6529	3.2901		2.0391	2.0391	4.4120	4.4120
S5	2.0391	4.4120	4.4120	2.0391		3.2901	4.6529	3.2901
S6	4.4120	4.4120	2.0391	2.0391	3.2901		3.2901	4.6529
S7	4.4120	2.0391	2.0391	4.4120	4.6529	3.2901		3.2901
S8	2.0391	2.0391	4.4120	4.4120	3.2901	4.6529	3.2901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	107.557	S1	S8	S2	107.557
S2	S7	S3	107.557	S3	S6	S4	107.557
S5	S1	S8	107.557	S5	S4	S6	107.557
S6	S3	S7	107.557	S7	S2	S8	107.557

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP2=FULL/cc-pV(T+d)Z

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=FULL/cc-pV(T+d)Z

States and conformations

All results from a given calculation for S₈ (Octasulfur)