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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	-472.712917
Energy at 298.15K
HF Energy	-472.360077
Nuclear repulsion energy	44.012403

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.513
O2	0.000	0.000	-1.026

	S1	O2
S1		1.5388
O2	1.5388

	hartrees
Energy at 0K	-472.675593
Energy at 298.15K
HF Energy	-472.291275
Nuclear repulsion energy	43.595623

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVDZ

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		1.5535
O2	1.5535

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)