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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	-1186.849482
Energy at 298.15K	-1186.849697
HF Energy	-1186.577349
Nuclear repulsion energy	161.016679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	B₂	728	712
2	A₁	436	427
3	A₁	191	187

Atom	y (Å)	z (Å)
S1	0.000	0.788
S2	1.836	-0.394
S3	-1.836	-0.394

	S1	S2	S3
S1		2.1830	2.1830
S2	2.1830		3.6713
S3	2.1830	3.6713

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

using model chemistry: MP4=FULL/3-21G

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	-1186.849024
Energy at 298.15K	-1186.849161
HF Energy	-1186.609707
Nuclear repulsion energy	168.901515

	S1	S2	S3
S1		2.4060	2.4060
S2	2.4060		2.4060
S3	2.4060	2.4060

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

using model chemistry: MP4=FULL/3-21G

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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