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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	-473.254408
Energy at 298.15K
HF Energy	-473.113011
Nuclear repulsion energy	45.077007

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.501
O2	0.000	0.000	-1.002

	S1	O2
S1		1.5026
O2	1.5026

	hartrees
Energy at 0K	-473.211025
Energy at 298.15K
HF Energy	-473.058878
Nuclear repulsion energy	44.831094

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

using model chemistry: B2PLYP=FULL/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		1.5109
O2	1.5109

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)