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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	-1193.258390
Energy at 298.15K	-1193.258839
HF Energy	-1192.600227
Nuclear repulsion energy	181.669364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	597	568	0.67
2	A₁	261	248	0.59
3	B₂	758	721	8.29

Atom	y (Å)	z (Å)
S1	0.000	0.668
S2	1.647	-0.334
S3	-1.647	-0.334

	S1	S2	S3
S1		1.9278	1.9278
S2	1.9278		3.2939
S3	1.9278	3.2939

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

using model chemistry: MP2=FULL/aug-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	-1193.249017
Energy at 298.15K	-1193.249545
HF Energy	-1192.613175
Nuclear repulsion energy	195.669735

	S1	S2	S3
S1		2.0770	2.0770
S2	2.0770		2.0770
S3	2.0770	2.0770

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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