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	hartrees
Energy at 0K	-3181.053160
Energy at 298.15K	-3181.054345
HF Energy	-3180.075475
Nuclear repulsion energy	1202.356970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	490	462	0.00
2	A₁	221	208	0.00
3	B₁	453	427	0.00
4	B₂	256	242	7.75
5	E₁	484	456	0.76
5	E₁	484	456	0.76
6	E₁	199	188	3.34
6	E₁	199	188	3.34
7	E₂	491	463	0.00
7	E₂	491	463	0.00
8	E₂	155	146	0.00
8	E₂	155	146	0.00
9	E₂	74	70	0.00
9	E₂	74	70	0.00
10	E₃	465	439	0.00
10	E₃	465	439	0.00
11	E₃	255	241	0.00
11	E₃	255	241	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.347	0.409
S2	2.347	0.000	0.409
S3	0.000	-2.347	0.409
S4	-2.347	0.000	0.409
S5	-1.659	1.659	-0.409
S6	-1.659	-1.659	-0.409
S7	1.659	-1.659	-0.409
S8	1.659	1.659	-0.409

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3185	4.6930	3.3185	1.9731	4.4121	4.4121	1.9731
S2	3.3185		3.3185	4.6930	4.4121	4.4121	1.9731	1.9731
S3	4.6930	3.3185		3.3185	4.4121	1.9731	1.9731	4.4121
S4	3.3185	4.6930	3.3185		1.9731	1.9731	4.4121	4.4121
S5	1.9731	4.4121	4.4121	1.9731		3.3185	4.6930	3.3185
S6	4.4121	4.4121	1.9731	1.9731	3.3185		3.3185	4.6930
S7	4.4121	1.9731	1.9731	4.4121	4.6930	3.3185		3.3185
S8	1.9731	1.9731	4.4121	4.4121	3.3185	4.6930	3.3185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	114.478	S1	S8	S2	114.478
S2	S7	S3	114.478	S3	S6	S4	114.478
S5	S1	S8	114.478	S5	S4	S6	114.478
S6	S3	S7	114.478	S7	S2	S8	114.478

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)