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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	-1192.912551
Energy at 298.15K	-1192.913007
HF Energy	-1192.471174
Nuclear repulsion energy	181.174387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	B₂	757	757	14.02
2	A₁	603	603	0.46
3	A₁	270	270	2.58

Atom	y (Å)	z (Å)
S1	0.000	0.680
S2	1.645	-0.340
S3	-1.645	-0.340

	S1	S2	S3
S1		1.9353	1.9353
S2	1.9353		3.2897
S3	1.9353	3.2897

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

using model chemistry: MP3=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	-1192.904953
Energy at 298.15K	-1192.905446
HF Energy	-1192.483626
Nuclear repulsion energy	193.945127

	S1	S2	S3
S1		2.0955	2.0955
S2	2.0955		2.0955
S3	2.0955	2.0955

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

using model chemistry: MP3=FULL/6-31G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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