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	hartrees
Energy at 0K	-3181.400712
Energy at 298.15K	-3181.401677
HF Energy	-3180.282111
Nuclear repulsion energy	1194.801118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	477	458	0.00
2	A₁	212	203	0.00
3	B₁	421	404	0.00
4	B₂	238	228	2.60
5	E₁	473	453	2.15
5	E₁	473	453	2.15
6	E₁	189	181	2.68
6	E₁	189	181	2.68
7	E₂	472	452	0.00
7	E₂	472	452	0.00
8	E₂	146	140	0.00
8	E₂	146	140	0.00
9	E₂	67	64	0.00
9	E₂	67	64	0.00
10	E₃	439	421	0.00
10	E₃	439	421	0.00
11	E₃	240	230	0.00
11	E₃	240	230	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.377	0.516
S2	2.377	0.000	0.516
S3	0.000	-2.377	0.516
S4	-2.377	0.000	0.516
S5	-1.681	1.681	-0.516
S6	-1.681	-1.681	-0.516
S7	1.681	-1.681	-0.516
S8	1.681	1.681	-0.516

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3615	4.7539	3.3615	2.0914	4.5116	4.5116	2.0914
S2	3.3615		3.3615	4.7539	4.5116	4.5116	2.0914	2.0914
S3	4.7539	3.3615		3.3615	4.5116	2.0914	2.0914	4.5116
S4	3.3615	4.7539	3.3615		2.0914	2.0914	4.5116	4.5116
S5	2.0914	4.5116	4.5116	2.0914		3.3615	4.7539	3.3615
S6	4.5116	4.5116	2.0914	2.0914	3.3615		3.3615	4.7539
S7	4.5116	2.0914	2.0914	4.5116	4.7539	3.3615		3.3615
S8	2.0914	2.0914	4.5116	4.5116	3.3615	4.7539	3.3615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	106.964	S1	S8	S2	106.964
S2	S7	S3	106.964	S3	S6	S4	106.964
S5	S1	S8	106.964	S5	S4	S6	106.964
S6	S3	S7	106.964	S7	S2	S8	106.964

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP2/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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All results from a given calculation for S8 (Octasulfur)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for S₈ (Octasulfur)