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	hartrees
Energy at 0K	-3181.346022
Energy at 298.15K
HF Energy	-3180.253481
Nuclear repulsion energy	1196.287689

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.375	0.513
S2	2.375	0.000	0.513
S3	0.000	-2.375	0.513
S4	-2.375	0.000	0.513
S5	-1.680	1.680	-0.513
S6	-1.680	-1.680	-0.513
S7	1.680	-1.680	-0.513
S8	1.680	1.680	-0.513

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3592	4.7506	3.3592	2.0875	4.5073	4.5073	2.0875
S2	3.3592		3.3592	4.7506	4.5073	4.5073	2.0875	2.0875
S3	4.7506	3.3592		3.3592	4.5073	2.0875	2.0875	4.5073
S4	3.3592	4.7506	3.3592		2.0875	2.0875	4.5073	4.5073
S5	2.0875	4.5073	4.5073	2.0875		3.3592	4.7506	3.3592
S6	4.5073	4.5073	2.0875	2.0875	3.3592		3.3592	4.7506
S7	4.5073	2.0875	2.0875	4.5073	4.7506	3.3592		3.3592
S8	2.0875	2.0875	4.5073	4.5073	3.3592	4.7506	3.3592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	107.142	S1	S8	S2	107.142
S2	S7	S3	107.142	S3	S6	S4	107.142
S5	S1	S8	107.142	S5	S4	S6	107.142
S6	S3	S7	107.142	S7	S2	S8	107.142

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP2=FULL/cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for S₈ (Octasulfur)