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	hartrees
Energy at 0K	-3150.971630
Energy at 298.15K	-3150.973370
Nuclear repulsion energy	1256.913457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	628	552	0.00
2	A₁	256	225	0.00
3	B₁	573	504	0.00
4	B₂	285	251	5.75
5	E₁	637	560	0.00
5	E₁	637	560	0.00
6	E₁	220	193	4.51
6	E₁	220	193	4.51
7	E₂	660	580	0.00
7	E₂	660	580	0.00
8	E₂	170	149	0.00
8	E₂	170	149	0.00
9	E₂	78	68	0.00
9	E₂	78	68	0.00
10	E₃	614	540	0.00
10	E₃	614	540	0.00
11	E₃	287	253	0.00
11	E₃	287	253	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.362	0.536
S2	2.362	0.000	0.536
S3	0.000	-2.362	0.536
S4	-2.362	0.000	0.536
S5	-1.670	1.670	-0.536
S6	-1.670	-1.670	-0.536
S7	1.670	-1.670	-0.536
S8	1.670	1.670	-0.536

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3402	4.7237	3.3402	2.1021	4.4941	4.4941	2.1021
S2	3.3402		3.3402	4.7237	4.4941	4.4941	2.1021	2.1021
S3	4.7237	3.3402		3.3402	4.4941	2.1021	2.1021	4.4941
S4	3.3402	4.7237	3.3402		2.1021	2.1021	4.4941	4.4941
S5	2.1021	4.4941	4.4941	2.1021		3.3402	4.7237	3.3402
S6	4.4941	4.4941	2.1021	2.1021	3.3402		3.3402	4.7237
S7	4.4941	2.1021	2.1021	4.4941	4.7237	3.3402		3.3402
S8	2.1021	2.1021	4.4941	4.4941	3.3402	4.7237	3.3402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	105.212	S1	S8	S2	105.212
S2	S7	S3	105.212	S3	S6	S4	105.212
S5	S1	S8	105.212	S5	S4	S6	105.212
S6	S3	S7	105.212	S7	S2	S8	105.212

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: mPW1PW91/STO-3G

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>	742.063
(<r²>)^1/2	27.241

All results from a given calculation for S8 (Octasulfur)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for S₈ (Octasulfur)