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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	-1193.144636
Energy at 298.15K	-1193.145075
HF Energy	-1192.599508
Nuclear repulsion energy	181.003157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	588	560	0.63
2	A₁	260	247	0.60
3	B₂	749	713	5.84

Atom	y (Å)	z (Å)
S1	0.000	0.672
S2	1.652	-0.336
S3	-1.652	-0.336

	S1	S2	S3
S1		1.9352	1.9352
S2	1.9352		3.3045
S3	1.9352	3.3045

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

using model chemistry: MP2/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	-1193.134881
Energy at 298.15K	-1193.135390
HF Energy	-1192.612865
Nuclear repulsion energy	194.708930

	S1	S2	S3
S1		2.0873	2.0873
S2	2.0873		2.0873
S3	2.0873	2.0873

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

using model chemistry: MP2/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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