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	hartrees
Energy at 0K	-3185.470142
Energy at 298.15K	-3185.471174
Nuclear repulsion energy	1203.306023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	486	467	0.00
2	A₁	216	208	0.00
3	B₁	404	389	0.00
4	B₂	243	233	3.06
5	E₁	479	461	2.62
5	E₁	479	461	2.62
6	E₁	192	185	4.26
6	E₁	192	185	4.26
7	E₂	476	458	0.00
7	E₂	476	458	0.00
8	E₂	147	141	0.00
8	E₂	147	141	0.00
9	E₂	74	71	0.00
9	E₂	74	71	0.00
10	E₃	430	414	0.00
10	E₃	430	414	0.00
11	E₃	251	241	0.00
11	E₃	251	241	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.371	0.494
S2	2.371	0.000	0.494
S3	0.000	-2.371	0.494
S4	-2.371	0.000	0.494
S5	-1.676	1.676	-0.494
S6	-1.676	-1.676	-0.494
S7	1.676	-1.676	-0.494
S8	1.676	1.676	-0.494

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3529	4.7417	3.3529	2.0664	4.4909	4.4909	2.0664
S2	3.3529		3.3529	4.7417	4.4909	4.4909	2.0664	2.0664
S3	4.7417	3.3529		3.3529	4.4909	2.0664	2.0664	4.4909
S4	3.3529	4.7417	3.3529		2.0664	2.0664	4.4909	4.4909
S5	2.0664	4.4909	4.4909	2.0664		3.3529	4.7417	3.3529
S6	4.4909	4.4909	2.0664	2.0664	3.3529		3.3529	4.7417
S7	4.4909	2.0664	2.0664	4.4909	4.7417	3.3529		3.3529
S8	2.0664	2.0664	4.4909	4.4909	3.3529	4.7417	3.3529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.448	S1	S8	S2	108.448
S2	S7	S3	108.448	S3	S6	S4	108.448
S5	S1	S8	108.448	S5	S4	S6	108.448
S6	S3	S7	108.448	S7	S2	S8	108.448

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: B3PW91/cc-pVTZ

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: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for S₈ (Octasulfur)