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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	-1193.258207
Energy at 298.15K	-1193.258680
HF Energy	-1192.598524
Nuclear repulsion energy	182.459617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	B₂	759	708	49.26
2	A₁	619	577	1.25
3	A₁	269	251	1.30

Atom	y (Å)	z (Å)
S1	0.000	0.672
S2	1.635	-0.336
S3	-1.635	-0.336

	S1	S2	S3
S1		1.9210	1.9210
S2	1.9210		3.2706
S3	1.9210	3.2706

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

using model chemistry: MP3=FULL/cc-pVTZ

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	-1193.257788
Energy at 298.15K	-1193.258315
HF Energy	-1192.610994
Nuclear repulsion energy	194.616762

	S1	S2	S3
S1		2.0882	2.0882
S2	2.0882		2.0882
S3	2.0882	2.0882

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

using model chemistry: MP3=FULL/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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