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	hartrees
Energy at 0K	-3181.140939
Energy at 298.15K	-3181.142107
HF Energy	-3180.074789
Nuclear repulsion energy	1198.218187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	482	454	0.00
2	A₁	219	206	0.00
3	B₁	460	433	0.00
4	B₂	255	240	7.38
5	E₁	477	449	0.36
5	E₁	477	449	0.36
6	E₁	197	185	2.99
6	E₁	197	185	2.99
7	E₂	489	460	0.00
7	E₂	489	460	0.00
8	E₂	155	146	0.00
8	E₂	155	146	0.00
9	E₂	70	66	0.00
9	E₂	70	66	0.00
10	E₃	471	443	0.00
10	E₃	471	443	0.00
11	E₃	251	237	0.00
11	E₃	251	237	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.377	0.503
S2	2.377	0.000	0.503
S3	0.000	-2.377	0.503
S4	-2.377	0.000	0.503
S5	-1.681	1.681	-0.503
S6	-1.681	-1.681	-0.503
S7	1.681	-1.681	-0.503
S8	1.681	1.681	-0.503

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3618	4.7542	3.3618	2.0788	4.5060	4.5060	2.0788
S2	3.3618		3.3618	4.7542	4.5060	4.5060	2.0788	2.0788
S3	4.7542	3.3618		3.3618	4.5060	2.0788	2.0788	4.5060
S4	3.3618	4.7542	3.3618		2.0788	2.0788	4.5060	4.5060
S5	2.0788	4.5060	4.5060	2.0788		3.3618	4.7542	3.3618
S6	4.5060	4.5060	2.0788	2.0788	3.3618		3.3618	4.7542
S7	4.5060	2.0788	2.0788	4.5060	4.7542	3.3618		3.3618
S8	2.0788	2.0788	4.5060	4.5060	3.3618	4.7542	3.3618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	107.918	S1	S8	S2	107.918
S2	S7	S3	107.918	S3	S6	S4	107.918
S5	S1	S8	107.918	S5	S4	S6	107.918
S6	S3	S7	107.918	S7	S2	S8	107.918

All results from a given calculation for S₈ (Octasulfur)

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

States and conformations

All results from a given calculation for S₈ (Octasulfur)