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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	-1193.672796
Energy at 298.15K	-1193.673184
HF Energy	-1192.586134
Nuclear repulsion energy	181.709587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	B₂	675	675
2	A₁	582	582
3	A₁	250	250

Atom	y (Å)	z (Å)
S1	0.000	0.664
S2	1.649	-0.332
S3	-1.649	-0.332

	S1	S2	S3
S1		1.9264	1.9264
S2	1.9264		3.2986
S3	1.9264	3.2986

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

using model chemistry: QCISD(T)=FULL/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	-1193.661010
Energy at 298.15K	-1193.661500
HF Energy	-1192.595642
Nuclear repulsion energy	194.791062

	S1	S2	S3
S1		2.0862	2.0862
S2	2.0862		2.0862
S3	2.0862	2.0862

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

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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