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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	-1193.193506
Energy at 298.15K	-1193.193888
HF Energy	-1192.596084
Nuclear repulsion energy	180.108987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	B₂	660	626
2	A₁	574	545
3	A₁	253	240

Atom	y (Å)	z (Å)
S1	0.000	0.677
S2	1.659	-0.338
S3	-1.659	-0.338

	S1	S2	S3
S1		1.9453	1.9453
S2	1.9453		3.3183
S3	1.9453	3.3183

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

using model chemistry: QCISD(T)/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	-1193.185885
Energy at 298.15K	-1193.186367
HF Energy	-1192.610193
Nuclear repulsion energy	193.264201

	S1	S2	S3
S1		2.1027	2.1027
S2	2.1027		2.1027
S3	2.1027	2.1027

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

using model chemistry: QCISD(T)/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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