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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Σ
2	1	yes	C*V	¹Σ

	hartrees
Energy at 0K	-473.181568
Energy at 298.15K
HF Energy	-472.410135
Nuclear repulsion energy	45.461120

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.497
O2	0.000	0.000	-0.993

	S1	O2
S1		1.4899
O2	1.4899

	hartrees
Energy at 0K	-473.145679
Energy at 298.15K
HF Energy	-472.339483
Nuclear repulsion energy	44.745124

All results from a given calculation for SO (Sulfur monoxide)

using model chemistry: MP2=FULL/aug-cc-pCVTZ

States and conformations

State 1 (³Σ)

State 2 (¹Σ)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	S1	O2
S1		1.5138
O2	1.5138

All results from a given calculation for SO (Sulfur monoxide)

using model chemistry: MP2=FULL/aug-cc-pCVTZ

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)