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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	-1193.014008
Energy at 298.15K	-1193.014352
HF Energy	-1192.534949
Nuclear repulsion energy	177.777377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	B₂	634	610
2	A₁	555	535
3	A₁	245	236

Atom	y (Å)	z (Å)
S1	0.000	0.693
S2	1.676	-0.346
S3	-1.676	-0.346

	S1	S2	S3
S1		1.9724	1.9724
S2	1.9724		3.3526
S3	1.9724	3.3526

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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	-1193.002965
Energy at 298.15K	-1193.003398
HF Energy	-1192.551452
Nuclear repulsion energy	190.513550

	S1	S2	S3
S1		2.1331	2.1331
S2	2.1331		2.1331
S3	2.1331	2.1331

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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