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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	-470.294819
Energy at 298.15K	-470.294816
HF Energy	-470.073369
Nuclear repulsion energy	44.542190

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.507
O2	0.000	0.000	-1.014

	S1	O2
S1		1.5207
O2	1.5207

	hartrees
Energy at 0K	-470.250889
Energy at 298.15K
HF Energy	-470.006850
Nuclear repulsion energy	44.196391

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

using model chemistry: CID/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		1.5326
O2	1.5326

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

using model chemistry: CID/3-21G*

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)