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	hartrees
Energy at 0K	-3181.126142
Energy at 298.15K
HF Energy	-3180.075116
Nuclear repulsion energy	1200.202252

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.348	0.408
S2	2.348	0.000	0.408
S3	0.000	-2.348	0.408
S4	-2.348	0.000	0.408
S5	-1.660	1.660	-0.408
S6	-1.660	-1.660	-0.408
S7	1.660	-1.660	-0.408
S8	1.660	1.660	-0.408

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3202	4.6955	3.3202	1.9734	4.4141	4.4141	1.9734
S2	3.3202		3.3202	4.6955	4.4141	4.4141	1.9734	1.9734
S3	4.6955	3.3202		3.3202	4.4141	1.9734	1.9734	4.4141
S4	3.3202	4.6955	3.3202		1.9734	1.9734	4.4141	4.4141
S5	1.9734	4.4141	4.4141	1.9734		3.3202	4.6955	3.3202
S6	4.4141	4.4141	1.9734	1.9734	3.3202		3.3202	4.6955
S7	4.4141	1.9734	1.9734	4.4141	4.6955	3.3202		3.3202
S8	1.9734	1.9734	4.4141	4.4141	3.3202	4.6955	3.3202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	114.546	S1	S8	S2	114.546
S2	S7	S3	114.546	S3	S6	S4	114.546
S5	S1	S8	114.546	S5	S4	S6	114.546
S6	S3	S7	114.546	S7	S2	S8	114.546

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for S₈ (Octasulfur)