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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	-1192.961898
Energy at 298.15K	-1192.962304
HF Energy	-1192.534068
Nuclear repulsion energy	180.719815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	B₂	666	666	97.90
2	A₁	580	580	0.80
3	A₁	267	267	2.74

Atom	y (Å)	z (Å)
S1	0.000	0.677
S2	1.652	-0.339
S3	-1.652	-0.339

	S1	S2	S3
S1		1.9392	1.9392
S2	1.9392		3.3037
S3	1.9392	3.3037

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

using model chemistry: CCSD/6-311G**

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	-1192.958782
Energy at 298.15K	-1192.959239
HF Energy	-1192.551444
Nuclear repulsion energy	192.737951

	S1	S2	S3
S1		2.1086	2.1086
S2	2.1086		2.1086
S3	2.1086	2.1086

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

using model chemistry: CCSD/6-311G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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