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	hartrees
Energy at 0K	-3185.583580
Energy at 298.15K	-3185.584629
Nuclear repulsion energy	1197.354673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	481	458	0.00
2	A₁	220	210	0.00
3	B₁	409	390	0.00
4	B₂	248	236	5.91
5	E₁	475	452	1.87
5	E₁	475	452	1.87
6	E₁	197	187	4.87
6	E₁	197	187	4.87
7	E₂	477	454	0.00
7	E₂	477	454	0.00
8	E₂	149	142	0.00
8	E₂	149	142	0.00
9	E₂	76	72	0.00
9	E₂	76	72	0.00
10	E₃	434	413	0.00
10	E₃	434	413	0.00
11	E₃	254	242	0.00
11	E₃	254	242	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.386	0.490
S2	2.386	0.000	0.490
S3	0.000	-2.386	0.490
S4	-2.386	0.000	0.490
S5	-1.687	1.687	-0.490
S6	-1.687	-1.687	-0.490
S7	1.687	-1.687	-0.490
S8	1.687	1.687	-0.490

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3749	4.7728	3.3749	2.0730	4.5172	4.5172	2.0730
S2	3.3749		3.3749	4.7728	4.5172	4.5172	2.0730	2.0730
S3	4.7728	3.3749		3.3749	4.5172	2.0730	2.0730	4.5172
S4	3.3749	4.7728	3.3749		2.0730	2.0730	4.5172	4.5172
S5	2.0730	4.5172	4.5172	2.0730		3.3749	4.7728	3.3749
S6	4.5172	4.5172	2.0730	2.0730	3.3749		3.3749	4.7728
S7	4.5172	2.0730	2.0730	4.5172	4.7728	3.3749		3.3749
S8	2.0730	2.0730	4.5172	4.5172	3.3749	4.7728	3.3749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.977	S1	S8	S2	108.977
S2	S7	S3	108.977	S3	S6	S4	108.977
S5	S1	S8	108.977	S5	S4	S6	108.977
S6	S3	S7	108.977	S7	S2	S8	108.977

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: mPW1PW91/6-31+G**

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>	825.156
(<r²>)^1/2	28.726

All results from a given calculation for S8 (Octasulfur)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for S₈ (Octasulfur)