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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	-1193.370077
Energy at 298.15K	-1193.370535
HF Energy	-1192.613249
Nuclear repulsion energy	182.534164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	603	577	1.09
2	A₁	265	253	0.75
3	B₂	762	729	12.16

Atom	y (Å)	z (Å)
S1	0.000	0.663
S2	1.640	-0.332
S3	-1.640	-0.332

	S1	S2	S3
S1		1.9183	1.9183
S2	1.9183		3.2804
S3	1.9183	3.2804

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

using model chemistry: MP2=FULL/cc-pVQZ

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	-1193.360492
Energy at 298.15K	-1193.361025
HF Energy	-1192.624726
Nuclear repulsion energy	196.438144

	S1	S2	S3
S1		2.0689	2.0689
S2	2.0689		2.0689
S3	2.0689	2.0689

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

using model chemistry: MP2=FULL/cc-pVQZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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