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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	-1193.315384
Energy at 298.15K	-1193.315825
HF Energy	-1192.534238
Nuclear repulsion energy	181.054245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	B₂	727	727	19.25
2	A₁	583	583	0.58
3	A₁	272	272	2.78

Atom	y (Å)	z (Å)
S1	0.000	0.683
S2	1.644	-0.341
S3	-1.644	-0.341

	S1	S2	S3
S1		1.9372	1.9372
S2	1.9372		3.2887
S3	1.9372	3.2887

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

using model chemistry: MP3=FULL/6-311G**

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	-1193.312031
Energy at 298.15K	-1193.312488
HF Energy	-1192.551441
Nuclear repulsion energy	192.733766

	S1	S2	S3
S1		2.1087	2.1087
S2	2.1087		2.1087
S3	2.1087	2.1087

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

using model chemistry: MP3=FULL/6-311G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (D3H)

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