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	hartrees
Energy at 0K	-3185.550545
Energy at 298.15K	-3185.551270
Nuclear repulsion energy	1181.314400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	461	443	0.00
2	A₁	212	204	0.00
3	B₁	363	349	0.00
4	B₂	243	234	6.02
5	E₁	451	433	2.01
5	E₁	451	433	2.01
6	E₁	190	183	4.53
6	E₁	190	183	4.53
7	E₂	446	429	0.00
7	E₂	446	429	0.00
8	E₂	144	139	0.00
8	E₂	144	139	0.00
9	E₂	73	70	0.00
9	E₂	73	70	0.00
10	E₃	394	378	0.00
10	E₃	394	378	0.00
11	E₃	247	237	0.00
11	E₃	247	237	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.420	0.495
S2	2.420	0.000	0.495
S3	0.000	-2.420	0.495
S4	-2.420	0.000	0.495
S5	-1.711	1.711	-0.495
S6	-1.711	-1.711	-0.495
S7	1.711	-1.711	-0.495
S8	1.711	1.711	-0.495

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.4226	4.8404	3.4226	2.0999	4.5800	4.5800	2.0999
S2	3.4226		3.4226	4.8404	4.5800	4.5800	2.0999	2.0999
S3	4.8404	3.4226		3.4226	4.5800	2.0999	2.0999	4.5800
S4	3.4226	4.8404	3.4226		2.0999	2.0999	4.5800	4.5800
S5	2.0999	4.5800	4.5800	2.0999		3.4226	4.8404	3.4226
S6	4.5800	4.5800	2.0999	2.0999	3.4226		3.4226	4.8404
S7	4.5800	2.0999	2.0999	4.5800	4.8404	3.4226		3.4226
S8	2.0999	2.0999	4.5800	4.5800	3.4226	4.8404	3.4226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	109.164	S1	S8	S2	109.164
S2	S7	S3	109.164	S3	S6	S4	109.164
S5	S1	S8	109.165	S5	S4	S6	109.165
S6	S3	S7	109.165	S7	S2	S8	109.165

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: B3LYP/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>	846.544
(<r²>)^1/2	29.095

All results from a given calculation for S8 (Octasulfur)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for S₈ (Octasulfur)