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	hartrees
Energy at 0K	-3170.739638
Energy at 298.15K	-3170.740285
Nuclear repulsion energy	1191.182220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	458	440	0.00
2	A₁	214	206	0.00
3	B₁	337	324	0.00
4	B₂	245	236	6.00
5	E₁	446	429	1.90
5	E₁	446	429	1.90
6	E₁	191	184	4.30
6	E₁	191	184	4.30
7	E₂	436	419	0.00
7	E₂	436	419	0.00
8	E₂	146	140	0.00
8	E₂	146	140	0.00
9	E₂	72	69	0.00
9	E₂	72	69	0.00
10	E₃	374	359	0.00
10	E₃	374	359	0.00
11	E₃	250	240	0.00
11	E₃	250	240	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.396	0.498
S2	2.396	0.000	0.498
S3	0.000	-2.396	0.498
S4	-2.396	0.000	0.498
S5	-1.694	1.694	-0.498
S6	-1.694	-1.694	-0.498
S7	1.694	-1.694	-0.498
S8	1.694	1.694	-0.498

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3881	4.7916	3.3881	2.0866	4.5375	4.5375	2.0866
S2	3.3881		3.3881	4.7916	4.5375	4.5375	2.0866	2.0866
S3	4.7916	3.3881		3.3881	4.5375	2.0866	2.0866	4.5375
S4	3.3881	4.7916	3.3881		2.0866	2.0866	4.5375	4.5375
S5	2.0866	4.5375	4.5375	2.0866		3.3881	4.7916	3.3881
S6	4.5375	4.5375	2.0866	2.0866	3.3881		3.3881	4.7916
S7	4.5375	2.0866	2.0866	4.5375	4.7916	3.3881		3.3881
S8	2.0866	2.0866	4.5375	4.5375	3.3881	4.7916	3.3881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.557	S1	S8	S2	108.557
S2	S7	S3	108.557	S3	S6	S4	108.557
S5	S1	S8	108.557	S5	S4	S6	108.557
S6	S3	S7	108.557	S7	S2	S8	108.557

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: B3LYP/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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<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for S8 (Octasulfur)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)