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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	-1192.882763
Energy at 298.15K	-1192.883214
HF Energy	-1192.471032
Nuclear repulsion energy	181.015775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	B₂	757	710	13.13
2	A₁	602	565	0.44
3	A₁	269	253	2.58

Atom	y (Å)	z (Å)
S1	0.000	0.680
S2	1.646	-0.340
S3	-1.646	-0.340

	S1	S2	S3
S1		1.9370	1.9370
S2	1.9370		3.2926
S3	1.9370	3.2926

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

using model chemistry: MP3/6-31G*

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	-1192.875330
Energy at 298.15K	-1192.875819
HF Energy	-1192.483561
Nuclear repulsion energy	193.847483

	S1	S2	S3
S1		2.0965	2.0965
S2	2.0965		2.0965
S3	2.0965	2.0965

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

using model chemistry: MP3/6-31G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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