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	hartrees
Energy at 0K	-3185.775163
Energy at 298.15K	-3185.775289
HF Energy	-3185.775163
Nuclear repulsion energy	1173.465116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	430	424	0.00
2	A₁	203	200	0.00
3	B₁	245	241	0.00
4	B₂	229	226	5.39
5	E₁	415	409	5.23
5	E₁	415	409	5.23
6	E₁	182	180	5.62
6	E₁	182	180	5.62
7	E₂	398	392	0.00
7	E₂	398	392	0.00
8	E₂	135	133	0.00
8	E₂	135	133	0.00
9	E₂	68	67	0.00
9	E₂	68	67	0.00
10	E₃	310	306	0.00
10	E₃	310	306	0.00
11	E₃	237	234	0.00
11	E₃	237	234	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.437	0.497
S2	2.437	0.000	0.497
S3	0.000	-2.437	0.497
S4	-2.437	0.000	0.497
S5	-1.723	1.723	-0.497
S6	-1.723	-1.723	-0.497
S7	1.723	-1.723	-0.497
S8	1.723	1.723	-0.497

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.4461	4.8735	3.4461	2.1136	4.6110	4.6110	2.1136
S2	3.4461		3.4461	4.8735	4.6110	4.6110	2.1136	2.1136
S3	4.8735	3.4461		3.4461	4.6110	2.1136	2.1136	4.6110
S4	3.4461	4.8735	3.4461		2.1136	2.1136	4.6110	4.6110
S5	2.1136	4.6110	4.6110	2.1136		3.4461	4.8735	3.4461
S6	4.6110	4.6110	2.1136	2.1136	3.4461		3.4461	4.8735
S7	4.6110	2.1136	2.1136	4.6110	4.8735	3.4461		3.4461
S8	2.1136	2.1136	4.6110	4.6110	3.4461	4.8735	3.4461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	115.001	S1	S8	S2	115.001
S2	S7	S3	115.001	S3	S6	S4	115.001
S5	S1	S8	115.001	S5	S4	S6	115.001
S6	S3	S7	115.001	S7	S2	S8	115.001

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: B97D3/6-311G**

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>	857.822
(<r²>)^1/2	29.289

All results from a given calculation for S8 (Octasulfur)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for S₈ (Octasulfur)