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	hartrees
Energy at 0K	-3181.746947
Energy at 298.15K	-3181.748147
HF Energy	-3180.365412
Nuclear repulsion energy	1218.548715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	499	475	0.00
2	A₁	220	210	0.00
3	B₁	451	429	0.00
4	B₂	248	236	3.54
5	E₁	494	470	1.32
5	E₁	494	470	1.32
6	E₁	195	185	3.50
6	E₁	195	185	3.50
7	E₂	496	472	0.00
7	E₂	496	472	0.00
8	E₂	151	144	0.00
8	E₂	151	144	0.00
9	E₂	68	65	0.00
9	E₂	68	65	0.00
10	E₃	466	443	0.00
10	E₃	466	443	0.00
11	E₃	253	240	0.00
11	E₃	253	240	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	2.331	0.417
S2	2.331	0.000	0.417
S3	0.000	-2.331	0.417
S4	-2.331	0.000	0.417
S5	-1.648	1.648	-0.417
S6	-1.648	-1.648	-0.417
S7	1.648	-1.648	-0.417
S8	1.648	1.648	-0.417

	S1	S2	S3	S4	S5	S6	S7	S8
S1		3.2961	4.6613	3.2961	1.9690	4.3865	4.3865	1.9690
S2	3.2961		3.2961	4.6613	4.3865	4.3865	1.9690	1.9690
S3	4.6613	3.2961		3.2961	4.3865	1.9690	1.9690	4.3865
S4	3.2961	4.6613	3.2961		1.9690	1.9690	4.3865	4.3865
S5	1.9690	4.3865	4.3865	1.9690		3.2961	4.6613	3.2961
S6	4.3865	4.3865	1.9690	1.9690	3.2961		3.2961	4.6613
S7	4.3865	1.9690	1.9690	4.3865	4.6613	3.2961		3.2961
S8	1.9690	1.9690	4.3865	4.3865	3.2961	4.6613	3.2961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S5	S4	113.645	S1	S8	S2	113.645
S2	S7	S3	113.645	S3	S6	S4	113.645
S5	S1	S8	113.645	S5	S4	S6	113.645
S6	S3	S7	113.645	S7	S2	S8	113.645

All results from a given calculation for S₈ (Octasulfur)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for S₈ (Octasulfur)