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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	-472.814799
Energy at 298.15K
HF Energy	-472.407000
Nuclear repulsion energy	45.437966

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.497
O2	0.000	0.000	-0.994

	S1	O2
S1		1.4908
O2	1.4908

	hartrees
Energy at 0K	-472.777606
Energy at 298.15K	-472.777597
HF Energy	-472.337470
Nuclear repulsion energy	45.021119

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

using model chemistry: CCSD(T)/cc-pV(T+d)Z

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		1.5044
O2	1.5044

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

using model chemistry: CCSD(T)/cc-pV(T+d)Z

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)