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	hartrees
Energy at 0K	-3185.572984
Energy at 298.15K	-3185.573285
HF Energy	-3185.572984
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	444	435	0.00
2	A₁	209	205	0.00
3	B₁	280	275	0.00
4	B₂	234	229	5.39
5	E₁	430	422	3.40
5	E₁	430	422	3.40
6	E₁	186	182	5.69
6	E₁	186	182	5.69
7	E₂	416	408	0.00
7	E₂	416	408	0.00
8	E₂	138	135	0.00
8	E₂	138	135	0.00
9	E₂	70	68	0.00
9	E₂	70	68	0.00
10	E₃	336	329	0.00
10	E₃	336	329	0.00
11	E₃	243	238	0.00
11	E₃	243	238	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.426	0.494
S2	2.426	0.000	0.494
S3	0.000	-2.426	0.494
S4	-2.426	0.000	0.494
S5	-1.715	1.715	-0.494
S6	-1.715	-1.715	-0.494
S7	1.715	-1.715	-0.494
S8	1.715	1.715	-0.494

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.4305	4.8514	3.4305	2.1034	4.5899	4.5899	2.1034
S2	3.4305		3.4305	4.8514	4.5899	4.5899	2.1034	2.1034
S3	4.8514	3.4305		3.4305	4.5899	2.1034	2.1034	4.5899
S4	3.4305	4.8514	3.4305		2.1034	2.1034	4.5899	4.5899
S5	2.1034	4.5899	4.5899	2.1034		3.4305	4.8514	3.4305
S6	4.5899	4.5899	2.1034	2.1034	3.4305		3.4305	4.8514
S7	4.5899	2.1034	2.1034	4.5899	4.8514	3.4305		3.4305
S8	2.1034	2.1034	4.5899	4.5899	3.4305	4.8514	3.4305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	115.023	S1	S8	S2	115.023
S2	S7	S3	115.023	S3	S6	S4	115.023
S5	S1	S8	115.023	S5	S4	S6	115.023
S6	S3	S7	115.023	S7	S2	S8	115.023

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: B97D3/6-31G*

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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<r²>	849.304
(<r²>)^1/2	29.143

All results from a given calculation for S8 (Octasulfur)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)