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	hartrees
Energy at 0K	-1194.077057
Energy at 298.15K	-1194.077410
HF Energy	-1194.077057
Nuclear repulsion energy	177.784072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	B₂	638	638	112.68
2	A₁	567	567	0.87
3	A₁	242	242	0.46

Atom	y (Å)	z (Å)
S1	0.000	0.677
S2	1.687	-0.339
S3	-1.687	-0.339

	S1	S2	S3
S1		1.9687	1.9687
S2	1.9687		3.3730
S3	1.9687	3.3730

Number	Element	Mulliken
1	S	0.095
2	S	-0.048
3	S	-0.048

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

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	126.247
(<r²>)^1/2	11.236

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

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

States and conformations

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