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	hartrees
Energy at 0K	-3181.261306
Energy at 298.15K	-3181.262361
HF Energy	-3180.251468
Nuclear repulsion energy	1198.112180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	473	449	0.00
2	A₁	216	205	0.00
3	B₁	420	399	0.00
4	B₂	254	241	8.07
5	E₁	465	442	1.26
5	E₁	465	442	1.26
6	E₁	197	187	3.36
6	E₁	197	187	3.36
7	E₂	470	446	0.00
7	E₂	470	446	0.00
8	E₂	152	145	0.00
8	E₂	152	145	0.00
9	E₂	73	70	0.00
9	E₂	73	70	0.00
10	E₃	439	417	0.00
10	E₃	439	417	0.00
11	E₃	251	239	0.00
11	E₃	251	239	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.381	0.496
S2	2.381	0.000	0.496
S3	0.000	-2.381	0.496
S4	-2.381	0.000	0.496
S5	-1.684	1.684	-0.496
S6	-1.684	-1.684	-0.496
S7	1.684	-1.684	-0.496
S8	1.684	1.684	-0.496

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3676	4.7625	3.3676	2.0752	4.5105	4.5105	2.0752
S2	3.3676		3.3676	4.7625	4.5105	4.5105	2.0752	2.0752
S3	4.7625	3.3676		3.3676	4.5105	2.0752	2.0752	4.5105
S4	3.3676	4.7625	3.3676		2.0752	2.0752	4.5105	4.5105
S5	2.0752	4.5105	4.5105	2.0752		3.3676	4.7625	3.3676
S6	4.5105	4.5105	2.0752	2.0752	3.3676		3.3676	4.7625
S7	4.5105	2.0752	2.0752	4.5105	4.7625	3.3676		3.3676
S8	2.0752	2.0752	4.5105	4.5105	3.3676	4.7625	3.3676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.464	S1	S8	S2	108.464
S2	S7	S3	108.464	S3	S6	S4	108.464
S5	S1	S8	108.464	S5	S4	S6	108.464
S6	S3	S7	108.464	S7	S2	S8	108.464

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for S₈ (Octasulfur)