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	hartrees
Energy at 0K	-3185.753038
Energy at 298.15K	-3185.753780
Nuclear repulsion energy	1181.551283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	465	451	0.00
2	A₁	208	202	0.00
3	B₁	367	356	0.00
4	B₂	234	227	2.09
5	E₁	457	443	3.45
5	E₁	457	443	3.45
6	E₁	186	180	3.87
6	E₁	186	180	3.87
7	E₂	450	436	0.00
7	E₂	450	436	0.00
8	E₂	142	138	0.00
8	E₂	142	138	0.00
9	E₂	72	69	0.00
9	E₂	72	69	0.00
10	E₃	398	386	0.00
10	E₃	398	386	0.00
11	E₃	240	232	0.00
11	E₃	240	232	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.413	0.506
S2	2.413	0.000	0.506
S3	0.000	-2.413	0.506
S4	-2.413	0.000	0.506
S5	-1.706	1.706	-0.506
S6	-1.706	-1.706	-0.506
S7	1.706	-1.706	-0.506
S8	1.706	1.706	-0.506

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.4121	4.8255	3.4121	2.1061	4.5717	4.5717	2.1061
S2	3.4121		3.4121	4.8255	4.5717	4.5717	2.1061	2.1061
S3	4.8255	3.4121		3.4121	4.5717	2.1061	2.1061	4.5717
S4	3.4121	4.8255	3.4121		2.1061	2.1061	4.5717	4.5717
S5	2.1061	4.5717	4.5717	2.1061		3.4121	4.8255	3.4121
S6	4.5717	4.5717	2.1061	2.1061	3.4121		3.4121	4.8255
S7	4.5717	2.1061	2.1061	4.5717	4.8255	3.4121		3.4121
S8	2.1061	2.1061	4.5717	4.5717	3.4121	4.8255	3.4121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.205	S1	S8	S2	108.205
S2	S7	S3	108.205	S3	S6	S4	108.205
S5	S1	S8	108.205	S5	S4	S6	108.205
S6	S3	S7	108.205	S7	S2	S8	108.205

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: B3LYP/aug-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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<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for S8 (Octasulfur)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for S₈ (Octasulfur)