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	hartrees
Energy at 0K	-3185.745668
Energy at 298.15K	-3185.746182
Nuclear repulsion energy	1176.288249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	446	431	0.00
2	A₁	206	199	0.00
3	B₁	332	321	0.00
4	B₂	238	230	6.10
5	E₁	435	420	3.08
5	E₁	435	420	3.08
6	E₁	186	180	4.42
6	E₁	186	180	4.42
7	E₂	428	414	0.00
7	E₂	428	414	0.00
8	E₂	141	136	0.00
8	E₂	141	136	0.00
9	E₂	70	68	0.00
9	E₂	70	68	0.00
10	E₃	370	357	0.00
10	E₃	370	357	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	0.498
S2	2.430	0.000	0.498
S3	0.000	-2.430	0.498
S4	-2.430	0.000	0.498
S5	-1.718	1.718	-0.498
S6	-1.718	-1.718	-0.498
S7	1.718	-1.718	-0.498
S8	1.718	1.718	-0.498

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.4364	4.8597	3.4364	2.1095	4.5989	4.5989	2.1095
S2	3.4364		3.4364	4.8597	4.5989	4.5989	2.1095	2.1095
S3	4.8597	3.4364		3.4364	4.5989	2.1095	2.1095	4.5989
S4	3.4364	4.8597	3.4364		2.1095	2.1095	4.5989	4.5989
S5	2.1095	4.5989	4.5989	2.1095		3.4364	4.8597	3.4364
S6	4.5989	4.5989	2.1095	2.1095	3.4364		3.4364	4.8597
S7	4.5989	2.1095	2.1095	4.5989	4.8597	3.4364		3.4364
S8	2.1095	2.1095	4.5989	4.5989	3.4364	4.8597	3.4364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	109.075	S1	S8	S2	109.075
S2	S7	S3	109.075	S3	S6	S4	109.075
S5	S1	S8	109.075	S5	S4	S6	109.075
S6	S3	S7	109.075	S7	S2	S8	109.075

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: B3LYP/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)