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	hartrees
Energy at 0K	-3181.206652
Energy at 298.15K	-3181.207841
HF Energy	-3180.075238
Nuclear repulsion energy	1200.933491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	485	455	0.00
2	A₁	221	208	0.00
3	B₁	462	434	0.00
4	B₂	259	243	7.59
5	E₁	480	450	0.32
5	E₁	480	450	0.32
6	E₁	199	187	2.57
6	E₁	199	187	2.57
7	E₂	490	460	0.00
7	E₂	490	460	0.00
8	E₂	158	148	0.00
8	E₂	158	148	0.00
9	E₂	71	67	0.00
9	E₂	71	67	0.00
10	E₃	473	444	0.00
10	E₃	473	444	0.00
11	E₃	253	238	0.00
11	E₃	253	238	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.347	0.408
S2	2.347	0.000	0.408
S3	0.000	-2.347	0.408
S4	-2.347	0.000	0.408
S5	-1.660	1.660	-0.408
S6	-1.660	-1.660	-0.408
S7	1.660	-1.660	-0.408
S8	1.660	1.660	-0.408

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.3191	4.6939	3.3191	1.9732	4.4128	4.4128	1.9732
S2	3.3191		3.3191	4.6939	4.4128	4.4128	1.9732	1.9732
S3	4.6939	3.3191		3.3191	4.4128	1.9732	1.9732	4.4128
S4	3.3191	4.6939	3.3191		1.9732	1.9732	4.4128	4.4128
S5	1.9732	4.4128	4.4128	1.9732		3.3191	4.6939	3.3191
S6	4.4128	4.4128	1.9732	1.9732	3.3191		3.3191	4.6939
S7	4.4128	1.9732	1.9732	4.4128	4.6939	3.3191		3.3191
S8	1.9732	1.9732	4.4128	4.4128	3.3191	4.6939	3.3191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	114.501	S1	S8	S2	114.501
S2	S7	S3	114.501	S3	S6	S4	114.501
S5	S1	S8	114.501	S5	S4	S6	114.501
S6	S3	S7	114.501	S7	S2	S8	114.501

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for S₈ (Octasulfur)