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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	-1192.896579
Energy at 298.15K	-1192.897012
HF Energy	-1192.470037
Nuclear repulsion energy	179.820281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	578	540	0.44
2	A₁	264	246	2.39
3	B₂	757	708	3.43

Atom	y (Å)	z (Å)
S1	0.000	0.669
S2	1.667	-0.335
S3	-1.667	-0.335

	S1	S2	S3
S1		1.9464	1.9464
S2	1.9464		3.3348
S3	1.9464	3.3348

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

using model chemistry: MP2=FULL/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	-1192.876848
Energy at 298.15K	-1192.877341
HF Energy	-1192.483973
Nuclear repulsion energy	194.530025

	S1	S2	S3
S1		2.0892	2.0892
S2	2.0892		2.0892
S3	2.0892	2.0892

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

using model chemistry: MP2=FULL/6-31G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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