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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	-472.874849
Energy at 298.15K
HF Energy	-472.405095
Nuclear repulsion energy	45.258706

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.499
O2	0.000	0.000	-0.998

	S1	O2
S1		1.4965
O2	1.4965

	hartrees
Energy at 0K	-472.838451
Energy at 298.15K
HF Energy	-472.336252
Nuclear repulsion energy	44.889549

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

using model chemistry: CCSD(T)=FULL/daug-cc-pVTZ

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		1.5088
O2	1.5088

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

using model chemistry: CCSD(T)=FULL/daug-cc-pVTZ

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)