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	hartrees
Energy at 0K	-3165.330070
Energy at 298.15K	-3165.331733
Nuclear repulsion energy	1217.209705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	510	461	0.00
2	A₁	242	218	0.00
3	B₁	519	469	0.00
4	B₂	288	260	9.42
5	E₁	507	457	0.07
5	E₁	507	457	0.07
6	E₁	216	195	2.31
6	E₁	216	195	2.31
7	E₂	526	475	0.00
7	E₂	526	475	0.00
8	E₂	175	158	0.00
8	E₂	175	158	0.00
9	E₂	68	62	0.00
9	E₂	68	62	0.00
10	E₃	523	472	0.00
10	E₃	523	472	0.00
11	E₃	273	247	0.00
11	E₃	273	247	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.334	0.505
S2	2.334	0.000	0.505
S3	0.000	-2.334	0.505
S4	-2.334	0.000	0.505
S5	-1.650	1.650	-0.505
S6	-1.650	-1.650	-0.505
S7	1.650	-1.650	-0.505
S8	1.650	1.650	-0.505

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3010	4.6683	3.3010	2.0520	4.4295	4.4295	2.0520
S2	3.3010		3.3010	4.6683	4.4295	4.4295	2.0520	2.0520
S3	4.6683	3.3010		3.3010	4.4295	2.0520	2.0520	4.4295
S4	3.3010	4.6683	3.3010		2.0520	2.0520	4.4295	4.4295
S5	2.0520	4.4295	4.4295	2.0520		3.3010	4.6683	3.3010
S6	4.4295	4.4295	2.0520	2.0520	3.3010		3.3010	4.6683
S7	4.4295	2.0520	2.0520	4.4295	4.6683	3.3010		3.3010
S8	2.0520	2.0520	4.4295	4.4295	3.3010	4.6683	3.3010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	107.092	S1	S8	S2	107.092
S2	S7	S3	107.092	S3	S6	S4	107.092
S5	S1	S8	107.092	S5	S4	S6	107.092
S6	S3	S7	107.092	S7	S2	S8	107.092

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: HF/3-21G*

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: HF/3-21G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)