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	hartrees
Energy at 0K	-3181.140372
Energy at 298.15K	-3181.141556
HF Energy	-3180.075605
Nuclear repulsion energy	1203.549672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	490	461	0.00
2	A₁	221	208	0.00
3	B₁	452	426	0.00
4	B₂	256	241	7.76
5	E₁	484	456	0.77
5	E₁	484	456	0.77
6	E₁	200	188	3.33
6	E₁	200	188	3.33
7	E₂	491	462	0.00
7	E₂	491	462	0.00
8	E₂	155	146	0.00
8	E₂	155	146	0.00
9	E₂	74	69	0.00
9	E₂	74	69	0.00
10	E₃	465	438	0.00
10	E₃	465	438	0.00
11	E₃	256	241	0.00
11	E₃	256	241	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.370	0.495
S2	2.370	0.000	0.495
S3	0.000	-2.370	0.495
S4	-2.370	0.000	0.495
S5	-1.676	1.676	-0.495
S6	-1.676	-1.676	-0.495
S7	1.676	-1.676	-0.495
S8	1.676	1.676	-0.495

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3518	4.7402	3.3518	2.0662	4.4897	4.4897	2.0662
S2	3.3518		3.3518	4.7402	4.4897	4.4897	2.0662	2.0662
S3	4.7402	3.3518		3.3518	4.4897	2.0662	2.0662	4.4897
S4	3.3518	4.7402	3.3518		2.0662	2.0662	4.4897	4.4897
S5	2.0662	4.4897	4.4897	2.0662		3.3518	4.7401	3.3518
S6	4.4897	4.4897	2.0662	2.0662	3.3518		3.3518	4.7401
S7	4.4897	2.0662	2.0662	4.4897	4.7401	3.3518		3.3518
S8	2.0662	2.0662	4.4897	4.4897	3.3518	4.7401	3.3518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.405	S1	S8	S2	108.405
S2	S7	S3	108.405	S3	S6	S4	108.405
S5	S1	S8	108.405	S5	S4	S6	108.405
S6	S3	S7	108.405	S7	S2	S8	108.405

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP2=FULL/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=FULL/6-31G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)