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	hartrees
Energy at 0K	-1591.238886
Energy at 298.15K
HF Energy	-1590.166423
Nuclear repulsion energy	351.517405

	hartrees
Energy at 0K	-1591.179911
Energy at 298.15K
HF Energy	-1590.110578
Nuclear repulsion energy	336.171363

	hartrees
Energy at 0K	-1591.259369
Energy at 298.15K
HF Energy	-1590.105385
Nuclear repulsion energy	335.211163

Atom	y (Å)	z (Å)
S1	0.948	1.269
S2	0.948	-1.269
S3	-0.948	1.269
S4	-0.948	-1.269

	S1	S2	S3	S4
S1		2.5387	1.8951	3.1680
S2	2.5387		3.1680	1.8951
S3	1.8951	3.1680		2.5387
S4	3.1680	1.8951	2.5387

All results from a given calculation for S₄ (Sulfur tetramer)

using model chemistry: CCSD(T)=FULL/aug-cc-pVQZ

States and conformations

Conformer 1 (D2D)

Conformer 2 (C2V)

Conformer 3 (D2H)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	S4	90.000		S1	S3	S4	90.000
S2	S1	S3	90.000		S2	S4	S3	90.000

All results from a given calculation for S4 (Sulfur tetramer)

using model chemistry: CCSD(T)=FULL/aug-cc-pVQZ

States and conformations

Conformer 1 (D2D)

Conformer 2 (C2V)

Conformer 3 (D2H)

All results from a given calculation for S₄ (Sulfur tetramer)