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	hartrees
Energy at 0K	-79.658152
Energy at 298.15K	-79.658014
HF Energy	-79.198172
Nuclear repulsion energy	154.377063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	380	371	0.00
2	A₁	164	160	0.00
3	B₁	360	352	0.00
4	B₂	193	188	3.36
5	E₁	379	370	0.36
5	E₁	379	370	0.36
6	E₁	150	146	1.09
6	E₁	150	146	1.09
7	E₂	394	384	0.00
7	E₂	394	384	0.00
8	E₂	119	116	0.00
8	E₂	119	116	0.00
9	E₂	57	55	0.00
9	E₂	57	55	0.00
10	E₃	377	368	0.00
10	E₃	377	368	0.00
11	E₃	191	186	0.00
11	E₃	191	186	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.591	0.555
S2	2.591	0.000	0.555
S3	0.000	-2.591	0.555
S4	-2.591	0.000	0.555
S5	-1.832	1.832	-0.555
S6	-1.832	-1.832	-0.555
S7	1.832	-1.832	-0.555
S8	1.832	1.832	-0.555

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.6640	5.1816	3.6640	2.2725	4.9142	4.9142	2.2725
S2	3.6640		3.6640	5.1816	4.9142	4.9142	2.2725	2.2725
S3	5.1816	3.6640		3.6640	4.9142	2.2725	2.2725	4.9142
S4	3.6640	5.1816	3.6640		2.2725	2.2725	4.9142	4.9142
S5	2.2725	4.9142	4.9142	2.2725		3.6640	5.1816	3.6640
S6	4.9142	4.9142	2.2725	2.2725	3.6640		3.6640	5.1816
S7	4.9142	2.2725	2.2725	4.9142	5.1816	3.6640		3.6640
S8	2.2725	2.2725	4.9142	4.9142	3.6640	5.1816	3.6640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	107.441	S1	S8	S2	107.441
S2	S7	S3	107.441	S3	S6	S4	107.441
S5	S1	S8	107.441	S5	S4	S6	107.441
S6	S3	S7	107.441	S7	S2	S8	107.441

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for S₈ (Octasulfur)