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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	-1193.017635
Energy at 298.15K	-1193.017995
HF Energy	-1192.534042
Nuclear repulsion energy	177.092036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	B₂	676	652
2	A₁	551	532
3	A₁	244	236

Atom	y (Å)	z (Å)
S1	0.000	0.688
S2	1.688	-0.344
S3	-1.688	-0.344

	S1	S2	S3
S1		1.9783	1.9783
S2	1.9783		3.3756
S3	1.9783	3.3756

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

using model chemistry: MP4=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	-1193.002840
Energy at 298.15K	-1193.003273
HF Energy	-1192.551514
Nuclear repulsion energy	190.581868

	S1	S2	S3
S1		2.1323	2.1323
S2	2.1323		2.1323
S3	2.1323	2.1323

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

using model chemistry: MP4=FULL/cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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