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	hartrees
Energy at 0K	-3185.244808
Energy at 298.15K	-3185.244082
Nuclear repulsion energy	1087.273707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	376	374	0.00
2	A₁	166	164	0.00
3	B₁	210	208	0.00
4	B₂	177	175	2.23
5	E₁	370	367	3.23
5	E₁	370	367	3.23
6	E₁	148	147	3.24
6	E₁	148	147	3.24
7	E₂	366	364	0.00
7	E₂	366	364	0.00
8	E₂	107	106	0.00
8	E₂	107	106	0.00
9	E₂	59	58	0.00
9	E₂	59	58	0.00
10	E₃	289	287	0.00
10	E₃	289	287	0.00
11	E₃	187	186	0.00
11	E₃	187	186	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.627	0.542
S2	2.627	0.000	0.542
S3	0.000	-2.627	0.542
S4	-2.627	0.000	0.542
S5	-1.857	1.857	-0.542
S6	-1.857	-1.857	-0.542
S7	1.857	-1.857	-0.542
S8	1.857	1.857	-0.542

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.7150	5.2538	3.7150	2.2840	4.9734	4.9734	2.2840
S2	3.7150		3.7150	5.2538	4.9734	4.9734	2.2840	2.2840
S3	5.2538	3.7150		3.7150	4.9734	2.2840	2.2840	4.9734
S4	3.7150	5.2538	3.7150		2.2840	2.2840	4.9734	4.9734
S5	2.2840	4.9734	4.9734	2.2840		3.7150	5.2538	3.7150
S6	4.9734	4.9734	2.2840	2.2840	3.7150		3.7150	5.2538
S7	4.9734	2.2840	2.2840	4.9734	5.2538	3.7150		3.7150
S8	2.2840	2.2840	4.9734	4.9734	3.7150	5.2538	3.7150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.830	S1	S8	S2	108.830
S2	S7	S3	108.830	S3	S6	S4	108.830
S5	S1	S8	108.830	S5	S4	S6	108.830
S6	S3	S7	108.830	S7	S2	S8	108.830

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: BLYP/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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<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for S8 (Octasulfur)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for S₈ (Octasulfur)