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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	-1192.914095
Energy at 298.15K	-1192.914472
HF Energy	-1192.468120
Nuclear repulsion energy	178.392738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	561	536
2	A₁	254	242
3	B₂	692	661

Atom	y (Å)	z (Å)
S1	0.000	0.676
S2	1.680	-0.338
S3	-1.680	-0.338

	S1	S2	S3
S1		1.9622	1.9622
S2	1.9622		3.3605
S3	1.9622	3.3605

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

using model chemistry: MP4/6-31G*

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	-1192.893940
Energy at 298.15K	-1192.894388
HF Energy	-1192.482919
Nuclear repulsion energy	193.004673

	S1	S2	S3
S1		2.1055	2.1055
S2	2.1055		2.1055
S3	2.1055	2.1055

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

using model chemistry: MP4/6-31G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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