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	hartrees
Energy at 0K	-81.229481
Energy at 298.15K	-81.230181
Nuclear repulsion energy	165.277853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	464	450	0.00
2	A₁	207	201	0.00
3	B₁	371	360	0.00
4	B₂	235	228	4.43
5	E₁	456	442	2.89
5	E₁	456	442	2.89
6	E₁	184	179	4.62
6	E₁	184	179	4.62
7	E₂	451	437	0.00
7	E₂	451	437	0.00
8	E₂	141	136	0.00
8	E₂	141	136	0.00
9	E₂	71	68	0.00
9	E₂	71	68	0.00
10	E₃	401	389	0.00
10	E₃	401	389	0.00
11	E₃	241	233	0.00
11	E₃	241	233	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.430	0.501
S2	2.430	0.000	0.501
S3	0.000	-2.430	0.501
S4	-2.430	0.000	0.501
S5	-1.718	1.718	-0.501
S6	-1.718	-1.718	-0.501
S7	1.718	-1.718	-0.501
S8	1.718	1.718	-0.501

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.4368	4.8604	3.4368	2.1129	4.6009	4.6009	2.1129
S2	3.4368		3.4368	4.8604	4.6009	4.6009	2.1129	2.1129
S3	4.8604	3.4368		3.4368	4.6009	2.1129	2.1129	4.6009
S4	3.4368	4.8604	3.4368		2.1129	2.1129	4.6009	4.6009
S5	2.1129	4.6009	4.6009	2.1129		3.4368	4.8604	3.4368
S6	4.6009	4.6009	2.1129	2.1129	3.4368		3.4368	4.8604
S7	4.6009	2.1129	2.1129	4.6009	4.8604	3.4368		3.4368
S8	2.1129	2.1129	4.6009	4.6009	3.4368	4.8604	3.4368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.840	S1	S8	S2	108.840
S2	S7	S3	108.840	S3	S6	S4	108.840
S5	S1	S8	108.840	S5	S4	S6	108.840
S6	S3	S7	108.840	S7	S2	S8	108.840

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: B3LYP/CEP-121G*

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: B3LYP/CEP-121G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)