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	hartrees
Energy at 0K	-3181.232347
Energy at 298.15K	-3181.233514
HF Energy	-3180.082402
Nuclear repulsion energy	1200.130679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	482	449	0.00
2	A₁	220	205	0.00
3	B₁	458	427	0.00
4	B₂	253	236	5.79
5	E₁	476	444	0.44
5	E₁	476	444	0.44
6	E₁	197	183	2.79
6	E₁	197	183	2.79
7	E₂	487	454	0.00
7	E₂	487	454	0.00
8	E₂	156	145	0.00
8	E₂	156	145	0.00
9	E₂	70	65	0.00
9	E₂	70	65	0.00
10	E₃	469	437	0.00
10	E₃	469	437	0.00
11	E₃	251	233	0.00
11	E₃	251	233	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.347	0.408
S2	2.347	0.000	0.408
S3	0.000	-2.347	0.408
S4	-2.347	0.000	0.408
S5	-1.660	1.660	-0.408
S6	-1.660	-1.660	-0.408
S7	1.660	-1.660	-0.408
S8	1.660	1.660	-0.408

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3193	4.6941	3.3193	1.9732	4.4130	4.4130	1.9732
S2	3.3193		3.3193	4.6941	4.4130	4.4130	1.9732	1.9732
S3	4.6941	3.3193		3.3193	4.4130	1.9732	1.9732	4.4130
S4	3.3193	4.6941	3.3193		1.9732	1.9732	4.4130	4.4130
S5	1.9732	4.4130	4.4130	1.9732		3.3193	4.6941	3.3193
S6	4.4130	4.4130	1.9732	1.9732	3.3193		3.3193	4.6941
S7	4.4130	1.9732	1.9732	4.4130	4.6941	3.3193		3.3193
S8	1.9732	1.9732	4.4130	4.4130	3.3193	4.6941	3.3193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	114.508	S1	S8	S2	114.508
S2	S7	S3	114.508	S3	S6	S4	114.508
S5	S1	S8	114.508	S5	S4	S6	114.508
S6	S3	S7	114.508	S7	S2	S8	114.508

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for S₈ (Octasulfur)