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	hartrees
Energy at 0K	-3185.576584
Energy at 298.15K	-3185.577624
Nuclear repulsion energy	1197.468208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	484	459	0.00
2	A₁	221	210	0.00
3	B₁	411	389	0.00
4	B₂	252	239	8.09
5	E₁	477	452	1.66
5	E₁	477	452	1.66
6	E₁	198	188	4.59
6	E₁	198	188	4.59
7	E₂	478	453	0.00
7	E₂	478	453	0.00
8	E₂	150	142	0.00
8	E₂	150	142	0.00
9	E₂	76	72	0.00
9	E₂	76	72	0.00
10	E₃	435	413	0.00
10	E₃	435	413	0.00
11	E₃	255	242	0.00
11	E₃	255	242	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.386	0.491
S2	2.386	0.000	0.491
S3	0.000	-2.386	0.491
S4	-2.386	0.000	0.491
S5	-1.687	1.687	-0.491
S6	-1.687	-1.687	-0.491
S7	1.687	-1.687	-0.491
S8	1.687	1.687	-0.491

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3740	4.7715	3.3740	2.0733	4.5163	4.5163	2.0733
S2	3.3740		3.3740	4.7715	4.5163	4.5163	2.0733	2.0733
S3	4.7715	3.3740		3.3740	4.5163	2.0733	2.0733	4.5163
S4	3.3740	4.7715	3.3740		2.0733	2.0733	4.5163	4.5163
S5	2.0733	4.5163	4.5163	2.0733		3.3740	4.7715	3.3740
S6	4.5163	4.5163	2.0733	2.0733	3.3740		3.3740	4.7715
S7	4.5163	2.0733	2.0733	4.5163	4.7715	3.3740		3.3740
S8	2.0733	2.0733	4.5163	4.5163	3.3740	4.7715	3.3740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	108.915	S1	S8	S2	108.915
S2	S7	S3	108.915	S3	S6	S4	108.915
S5	S1	S8	108.915	S5	S4	S6	108.915
S6	S3	S7	108.915	S7	S2	S8	108.915

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: mPW1PW91/6-31G*

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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<r²>	824.927
(<r²>)^1/2	28.722

All results from a given calculation for S8 (Octasulfur)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)