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	hartrees
Energy at 0K	-3180.246053
Energy at 298.15K	-3180.245586
HF Energy	-3179.733817
Nuclear repulsion energy	1090.972863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	363	351	0.00
2	A₁	153	148	0.00
3	B₁	347	335	0.00
4	B₂	182	176	1.82
5	E₁	365	352	0.01
5	E₁	365	352	0.01
6	E₁	139	134	0.59
6	E₁	139	134	0.59
7	E₂	381	367	0.00
7	E₂	381	367	0.00
8	E₂	114	110	0.00
8	E₂	114	110	0.00
9	E₂	48	47	0.00
9	E₂	48	47	0.00
10	E₃	365	352	0.00
10	E₃	365	352	0.00
11	E₃	181	174	0.00
11	E₃	181	174	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.596	0.576
S2	2.596	0.000	0.576
S3	0.000	-2.596	0.576
S4	-2.596	0.000	0.576
S5	-1.836	1.836	-0.576
S6	-1.836	-1.836	-0.576
S7	1.836	-1.836	-0.576
S8	1.836	1.836	-0.576

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.6718	5.1928	3.6718	2.2970	4.9339	4.9339	2.2970
S2	3.6718		3.6718	5.1928	4.9339	4.9339	2.2970	2.2970
S3	5.1928	3.6718		3.6718	4.9339	2.2970	2.2970	4.9339
S4	3.6718	5.1928	3.6718		2.2970	2.2970	4.9339	4.9339
S5	2.2970	4.9339	4.9339	2.2970		3.6718	5.1928	3.6718
S6	4.9339	4.9339	2.2970	2.2970	3.6718		3.6718	5.1928
S7	4.9339	2.2970	2.2970	4.9339	5.1928	3.6718		3.6718
S8	2.2970	2.2970	4.9339	4.9339	3.6718	5.1928	3.6718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	106.121	S1	S8	S2	106.121
S2	S7	S3	106.121	S3	S6	S4	106.121
S5	S1	S8	106.121	S5	S4	S6	106.121
S6	S3	S7	106.121	S7	S2	S8	106.121

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

All results from a given calculation for S₈ (Octasulfur)