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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	-1193.205850
Energy at 298.15K	-1193.206237
HF Energy	-1192.598643
Nuclear repulsion energy	180.348684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	B₂	668	648
2	A₁	577	560
3	A₁	252	245

Atom	y (Å)	z (Å)
S1	0.000	0.677
S2	1.656	-0.339
S3	-1.656	-0.339

	S1	S2	S3
S1		1.9429	1.9429
S2	1.9429		3.3126
S3	1.9429	3.3126

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

using model chemistry: CCSD(T)/aug-cc-pVTZ

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	-1193.198658
Energy at 298.15K	-1193.199138
HF Energy	-1192.612068
Nuclear repulsion energy	193.315508

	S1	S2	S3
S1		2.1021	2.1021
S2	2.1021		2.1021
S3	2.1021	2.1021

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

using model chemistry: CCSD(T)/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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