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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	-470.309847
Energy at 298.15K	-470.309841
HF Energy	-470.072672
Nuclear repulsion energy	44.286176

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.510
O2	0.000	0.000	-1.020

	S1	O2
S1		1.5295
O2	1.5295

	hartrees
Energy at 0K	-470.271295
Energy at 298.15K
HF Energy	-470.005053
Nuclear repulsion energy	43.745136

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

using model chemistry: CCD/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		1.5484
O2	1.5484

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

using model chemistry: CCD/3-21G*

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)