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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	-1193.040429
Energy at 298.15K	-1193.040779
HF Energy	-1192.545524
Nuclear repulsion energy	176.671046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	561	549
2	A₁	254	248
3	B₂	692	676

Atom	y (Å)	z (Å)
S1	0.000	0.692
S2	1.690	-0.346
S3	-1.690	-0.346

	S1	S2	S3
S1		1.9835	1.9835
S2	1.9835		3.3802
S3	1.9835	3.3802

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

using model chemistry: MP4/aug-cc-pVDZ

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	-1193.023778
Energy at 298.15K	-1193.024184
HF Energy	-1192.558745
Nuclear repulsion energy	189.640585

	S1	S2	S3
S1		2.1429	2.1429
S2	2.1429		2.1429
S3	2.1429	2.1429

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

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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