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	hartrees
Energy at 0K	-3181.349556
Energy at 298.15K	-3181.350543
HF Energy	-3180.250700
Nuclear repulsion energy	1192.304792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	464	444	0.00
2	A₁	213	204	0.00
3	B₁	429	411	0.00
4	B₂	252	241	7.68
5	E₁	458	438	0.71
5	E₁	458	438	0.71
6	E₁	194	186	2.99
6	E₁	194	186	2.99
7	E₂	468	448	0.00
7	E₂	468	448	0.00
8	E₂	152	146	0.00
8	E₂	152	146	0.00
9	E₂	70	67	0.00
9	E₂	70	67	0.00
10	E₃	445	426	0.00
10	E₃	445	426	0.00
11	E₃	246	236	0.00
11	E₃	246	236	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.388	0.506
S2	2.388	0.000	0.506
S3	0.000	-2.388	0.506
S4	-2.388	0.000	0.506
S5	-1.689	1.689	-0.506
S6	-1.689	-1.689	-0.506
S7	1.689	-1.689	-0.506
S8	1.689	1.689	-0.506

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3777	4.7768	3.3777	2.0896	4.5278	4.5278	2.0896
S2	3.3777		3.3777	4.7768	4.5278	4.5278	2.0896	2.0896
S3	4.7768	3.3777		3.3777	4.5278	2.0896	2.0896	4.5278
S4	3.3777	4.7768	3.3777		2.0896	2.0896	4.5278	4.5278
S5	2.0896	4.5278	4.5278	2.0896		3.3777	4.7768	3.3777
S6	4.5278	4.5278	2.0896	2.0896	3.3777		3.3777	4.7768
S7	4.5278	2.0896	2.0896	4.5278	4.7768	3.3777		3.3777
S8	2.0896	2.0896	4.5278	4.5278	3.3777	4.7768	3.3777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	107.845	S1	S8	S2	107.845
S2	S7	S3	107.845	S3	S6	S4	107.845
S5	S1	S8	107.845	S5	S4	S6	107.845
S6	S3	S7	107.845	S7	S2	S8	107.845

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: QCISD/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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All results from a given calculation for S8 (Octasulfur)

using model chemistry: QCISD/6-311G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)