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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	¹A₁
1	2	no	D3H	¹A₁^'

	hartrees
Energy at 0K	-1193.176793
Energy at 298.15K	-1193.177198
HF Energy	-1192.586009
Nuclear repulsion energy	181.627178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	B₂	686	677
2	A₁	585	578
3	A₁	257	254

Atom	y (Å)	z (Å)
S1	0.000	0.665
S2	1.649	-0.333
S3	-1.649	-0.333

	S1	S2	S3
S1		1.9276	1.9276
S2	1.9276		3.2986
S3	1.9276	3.2986

All results from a given calculation for S₃ (Sulfur trimer)

using model chemistry: CCSD(T)/6-311+G(3df,2p)

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-1193.165438
Energy at 298.15K	-1193.165924
HF Energy	-1192.595463
Nuclear repulsion energy	194.501088

	S1	S2	S3
S1		2.0893	2.0893
S2	2.0893		2.0893
S3	2.0893	2.0893

All results from a given calculation for S3 (Sulfur trimer)

using model chemistry: CCSD(T)/6-311+G(3df,2p)

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

All results from a given calculation for S₃ (Sulfur trimer)