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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	-1193.435189
Energy at 298.15K	-1193.435600
HF Energy	-1192.613515
Nuclear repulsion energy	182.158760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	B₂	696	666
2	A₁	595	570
3	A₁	254	243

Atom	y (Å)	z (Å)
S1	0.000	0.666
S2	1.642	-0.333
S3	-1.642	-0.333

	S1	S2	S3
S1		1.9226	1.9226
S2	1.9226		3.2849
S3	1.9226	3.2849

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

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

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	-1193.427843
Energy at 298.15K	-1193.428349
HF Energy	-1192.624910
Nuclear repulsion energy	195.203240

	S1	S2	S3
S1		2.0818	2.0818
S2	2.0818		2.0818
S3	2.0818	2.0818

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

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

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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