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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	-1193.140085
Energy at 298.15K	-1193.140561
HF Energy	-1192.587709
Nuclear repulsion energy	183.348814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	B₂	762	762	66.29
2	A₁	620	620	1.29
3	A₁	271	271	0.75

Atom	y (Å)	z (Å)
S1	0.000	0.661
S2	1.632	-0.331
S3	-1.632	-0.331

	S1	S2	S3
S1		1.9101	1.9101
S2	1.9101		3.2643
S3	1.9101	3.2643

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

using model chemistry: MP3/6-311+G(3df,2p)

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	-1193.133894
Energy at 298.15K	-1193.134409
HF Energy	-1192.595877
Nuclear repulsion energy	195.221283

	S1	S2	S3
S1		2.0818	2.0818
S2	2.0818		2.0818
S3	2.0818	2.0818

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

using model chemistry: MP3/6-311+G(3df,2p)

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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