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	hartrees
Energy at 0K	-3181.184222
Energy at 298.15K	-3181.185206
HF Energy	-3180.073975
Nuclear repulsion energy	1194.172157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	474	452
2	A₁	214	204
3	B₁	430	411
4	B₂	249	238
5	E₁	467	446
5	E₁	467	446
6	E₁	194	185
6	E₁	194	185
7	E₂	445	425
7	E₂	445	425
8	E₂	151	144
8	E₂	150	144
9	E₂	72	69
9	E₂	72	68
10	E₃	472	451
10	E₃	472	451
11	E₃	249	237
11	E₃	249	237

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.388	0.499
S2	2.388	0.000	0.499
S3	0.000	-2.388	0.499
S4	-2.388	0.000	0.499
S5	-1.689	1.689	-0.499
S6	-1.689	-1.689	-0.499
S7	1.689	-1.689	-0.499
S8	1.689	1.689	-0.499

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3776	4.7766	3.3776	2.0827	4.5245	4.5245	2.0827
S2	3.3776		3.3776	4.7766	4.5245	4.5245	2.0827	2.0827
S3	4.7766	3.3776		3.3776	4.5245	2.0827	2.0827	4.5245
S4	3.3776	4.7766	3.3776		2.0827	2.0827	4.5245	4.5245
S5	2.0827	4.5245	4.5245	2.0827		3.3776	4.7766	3.3776
S6	4.5245	4.5245	2.0827	2.0827	3.3776		3.3776	4.7766
S7	4.5245	2.0827	2.0827	4.5245	4.7766	3.3776		3.3776
S8	2.0827	2.0827	4.5245	4.5245	3.3776	4.7766	3.3776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.363	S1	S8	S2	108.363
S2	S7	S3	108.363	S3	S6	S4	108.363
S5	S1	S8	108.363	S5	S4	S6	108.363
S6	S3	S7	108.363	S7	S2	S8	108.363

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)