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	hartrees
Energy at 0K	-3166.413312
Energy at 298.15K	-3166.414414
HF Energy	-3165.329300
Nuclear repulsion energy	1206.982967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	477	459	0.00
2	A₁	221	213	0.00
3	B₁	437	420	0.00
4	B₂	258	248	7.23
5	E₁	470	452	0.35
5	E₁	470	452	0.35
6	E₁	198	191	2.84
6	E₁	198	191	2.84
7	E₂	477	459	0.00
7	E₂	477	459	0.00
8	E₂	157	151	0.00
8	E₂	157	151	0.00
9	E₂	68	65	0.00
9	E₂	68	65	0.00
10	E₃	452	434	0.00
10	E₃	452	434	0.00
11	E₃	255	245	0.00
11	E₃	255	245	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.356	0.505
S2	2.356	0.000	0.505
S3	0.000	-2.356	0.505
S4	-2.356	0.000	0.505
S5	-1.666	1.666	-0.505
S6	-1.666	-1.666	-0.505
S7	1.666	-1.666	-0.505
S8	1.666	1.666	-0.505

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3325	4.7128	3.3325	2.0670	4.4696	4.4696	2.0670
S2	3.3325		3.3325	4.7128	4.4696	4.4696	2.0670	2.0670
S3	4.7128	3.3325		3.3325	4.4696	2.0670	2.0670	4.4696
S4	3.3325	4.7128	3.3325		2.0670	2.0670	4.4696	4.4696
S5	2.0670	4.4696	4.4696	2.0670		3.3325	4.7128	3.3325
S6	4.4696	4.4696	2.0670	2.0670	3.3325		3.3325	4.7128
S7	4.4696	2.0670	2.0670	4.4696	4.7128	3.3325		3.3325
S8	2.0670	2.0670	4.4696	4.4696	3.3325	4.7128	3.3325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	107.437	S1	S8	S2	107.437
S2	S7	S3	107.437	S3	S6	S4	107.437
S5	S1	S8	107.437	S5	S4	S6	107.437
S6	S3	S7	107.437	S7	S2	S8	107.437

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)