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	hartrees
Energy at 0K	-3185.584097
Energy at 298.15K	-3185.585194
HF Energy	-3185.584097
Nuclear repulsion energy	1197.253493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	484	462	0.00
2	A₁	218	208	0.00
3	B₁	429	410	0.00
4	B₂	252	241	6.04
5	E₁	478	457	1.98
5	E₁	478	457	1.98
6	E₁	194	186	3.14
6	E₁	194	186	3.14
7	E₂	483	461	0.00
7	E₂	483	461	0.00
8	E₂	152	145	0.00
8	E₂	152	145	0.00
9	E₂	66	63	0.00
9	E₂	66	63	0.00
10	E₃	450	430	0.00
10	E₃	450	430	0.00
11	E₃	250	239	0.00
11	E₃	250	239	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.349	0.407
S2	2.349	0.000	0.407
S3	0.000	-2.349	0.407
S4	-2.349	0.000	0.407
S5	-1.661	1.661	-0.407
S6	-1.661	-1.661	-0.407
S7	1.661	-1.661	-0.407
S8	1.661	1.661	-0.407

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3215	4.6973	3.3215	1.9736	4.4156	4.4156	1.9736
S2	3.3215		3.3215	4.6973	4.4156	4.4156	1.9736	1.9736
S3	4.6973	3.3215		3.3215	4.4156	1.9736	1.9736	4.4156
S4	3.3215	4.6973	3.3215		1.9736	1.9736	4.4156	4.4156
S5	1.9736	4.4156	4.4156	1.9736		3.3215	4.6973	3.3215
S6	4.4156	4.4156	1.9736	1.9736	3.3215		3.3215	4.6973
S7	4.4156	1.9736	1.9736	4.4156	4.6973	3.3215		3.3215
S8	1.9736	1.9736	4.4156	4.4156	3.3215	4.6973	3.3215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	114.597	S1	S8	S2	114.597
S2	S7	S3	114.597	S3	S6	S4	114.597
S5	S1	S8	114.597	S5	S4	S6	114.597
S6	S3	S7	114.597	S7	S2	S8	114.597

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: wB97X-D/TZVP

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>	821.348
(<r²>)^1/2	28.659

All results from a given calculation for S8 (Octasulfur)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for S₈ (Octasulfur)