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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	-470.129656
Energy at 298.15K
HF Energy	-469.947964
Nuclear repulsion energy	42.154179

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.536
O2	0.000	0.000	-1.071

	S1	O2
S1		1.6068
O2	1.6068

	hartrees
Energy at 0K	-470.102647
Energy at 298.15K
HF Energy	-469.869192
Nuclear repulsion energy	39.843761

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

using model chemistry: MP2/3-21G

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		1.7000
O2	1.7000

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

using model chemistry: MP2/3-21G

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)