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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	D*H	³Σ_g
2	1	yes	D*H	¹Σ

	hartrees
Energy at 0K	-795.281371
Energy at 298.15K	-795.281295
HF Energy	-795.015769
Nuclear repulsion energy	70.825703

All results from a given calculation for S₂ (Sulfur diatomic)

using model chemistry: MP3=FULL/6-31G*

States and conformations

State 1 (³Σ_g)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for S2 (Sulfur diatomic)

using model chemistry: MP3=FULL/6-31G*

States and conformations

State 1 (3Σg)

All results from a given calculation for S₂ (Sulfur diatomic)

State 1 (³Σ_g)