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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	-29.822889
Energy at 298.15K	-29.823238
HF Energy	-29.627117
Nuclear repulsion energy	22.990208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	485	468	0.00
2	A₁	216	209	2.64
3	B₂	917	887	934.75

Atom	y (Å)	z (Å)
S1	0.000	0.774
S2	1.809	-0.387
S3	-1.809	-0.387

	S1	S2	S3
S1		2.1495	2.1495
S2	2.1495		3.6183
S3	2.1495	3.6183

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

using model chemistry: MP2/CEP-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	-29.808490
Energy at 298.15K	-29.808642
HF Energy	-29.645952
Nuclear repulsion energy	24.361631

	S1	S2	S3
S1		2.3459	2.3459
S2	2.3459		2.3459
S3	2.3459	2.3459

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

using model chemistry: MP2/CEP-31G

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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