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	hartrees
Energy at 0K	-3185.444841
Energy at 298.15K	-3185.444970
Nuclear repulsion energy	1159.349827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	431	428	0.00
2	A₁	201	199	0.00
3	B₁	264	262	0.00
4	B₂	223	222	4.12
5	E₁	418	415	3.53
5	E₁	418	415	3.53
6	E₁	179	178	5.78
6	E₁	179	178	5.78
7	E₂	403	400	0.00
7	E₂	403	400	0.00
8	E₂	131	130	0.00
8	E₂	131	130	0.00
9	E₂	72	72	0.00
9	E₂	72	72	0.00
10	E₃	321	319	0.00
10	E₃	321	319	0.00
11	E₃	234	232	0.00
11	E₃	234	232	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.472	0.494
S2	2.472	0.000	0.494
S3	0.000	-2.472	0.494
S4	-2.472	0.000	0.494
S5	-1.748	1.748	-0.494
S6	-1.748	-1.748	-0.494
S7	1.748	-1.748	-0.494
S8	1.748	1.748	-0.494

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.4953	4.9430	3.4953	2.1345	4.6726	4.6726	2.1345
S2	3.4953		3.4953	4.9430	4.6726	4.6726	2.1345	2.1345
S3	4.9430	3.4953		3.4953	4.6726	2.1345	2.1345	4.6726
S4	3.4953	4.9430	3.4953		2.1345	2.1345	4.6726	4.6726
S5	2.1345	4.6726	4.6726	2.1345		3.4953	4.9430	3.4953
S6	4.6726	4.6726	2.1345	2.1345	3.4953		3.4953	4.9430
S7	4.6726	2.1345	2.1345	4.6726	4.9430	3.4953		3.4953
S8	2.1345	2.1345	4.6726	4.6726	3.4953	4.9430	3.4953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	109.918	S1	S8	S2	109.918
S2	S7	S3	109.918	S3	S6	S4	109.918
S5	S1	S8	109.918	S5	S4	S6	109.918
S6	S3	S7	109.918	S7	S2	S8	109.918

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: BLYP/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>	878.423
(<r²>)^1/2	29.638

All results from a given calculation for S8 (Octasulfur)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for S₈ (Octasulfur)